"Unique Ligand Radical Character of an Activated Cobalt Salen Catalyst that is Generated. Takuya Kurahashi and Hiroshi Fujii *
|
|
- Angelica Thornton
- 5 years ago
- Views:
Transcription
1 Supporting Information for "Unique Ligand Radical Character of an Activated Cobalt Salen Catalyst that is Generated by Aerobic Oxidation of a Cobalt(II) Salen Complex" Takuya Kurahashi and Hiroshi Fujii * Institute for Molecular Science & Okazaki Institute for Integrative Bioscience, National Institutes of Natural Sciences, Myodaiji, Okazaki, Aichi , Japan * To whom correspondence should be addressed. hiro@ims.ac.jp
2 Figure S1. Cyclic voltammograms of (a) Co(L-OMe)(OTf), (b) Co(L-t-Bu)(OTf), (c) Co(L-Cl)(OTf) (d) Co(L-OMe/t-Bu)(OTf) (e) Co(L-OMe/Cl)(OTf) in CH 2 Cl 2 at 233 K. Conditions: 1 mm, 0.1 M of Bu 4 NOTf supporting electrolyte, a saturated calomel electrode as reference electrode, a glassy-carbon working-electrode, a platinum-wire counter electrode, a scan rate of 50 mv s 1. The potentials are referenced versus the ferrocenium/ferrocene couple (Fc + /Fc). S 1
3 Table S1. Crystallographic data for Co(L-OMe)(OTf). Co(L-OMe)(OTf) formula C 62 H 80 F 6 Co 2 N 4 O 14 S 2 Mr T / C 180 cryst size / mm cryst system monoclinic space group P2 1 (No. 4) cryst color brown a / Å (5) b / Å (5) c / Å (10) α / deg β / deg (7) γ / deg V / Å (2) Z value 2 D calc /g cm GOF R1 a R w b Flack 0.05(3) a R1 = F o F c / F o b R w = [ w(f o 2 F c 2 ) 2 / w(f o 2 ) 2 ] 1/2 S 2
4 Figure S2. Packing diagram of Co(L-OMe)(OTf) molecules a and b in the asymmetric cell. S 3
5 Figure S3. Differences of the structural parameters between Co(L-OMe)(OTf) and Co II (L-OMe). The charts show increased (red bar) or decreased (blue bar) bond length of left and right phenolates of Co(L-OMe)(OTf) (molecule a and b, Figure 1), as compared with the averaged bond length of left and right phenolates of Co II (L-OMe). The structural parameters of Co II (L-OMe) are adopted from the following reference; Kochem, A.; Kanso, H.; Baptiste, B.; Arora, H.; Philouze, C.; Jarjayes, O.; Vezin, H.; Luneau, D.; Orio, M.; Thomas, F. Inorg. Chem. 2012, 51, S 4
6 Figure S4. 1 H NMR spectrum of 20 mm solution of Co III (L-t-Bu)(OAc) in CD 2 Cl 2 at 298 K. S 5
7 Figure S5. Co L-edge X-ray absorption spectra of Co(L-OMe)(OTf) (red line), Co II (L-OMe) (blue line), and Co III (L-t-Bu)(OAc) (black line). S 6
8 Figure S6. Co L-edge X-ray absorption spectra of Co II (NO 3 ) 2 (H 2 O) 6 (blue line) and [Co III (NH 3 ) 6 ]Cl 3 (red line). S 7
9 Figure S7. Co L-edge X-ray absorption spectra of (a) Co II (L-OMe), (b) Co(L-OMe)(OTf), and (c) Co III (L-t-Bu)(OAc) before (black line) and after X-ray irradiation for 1 h (red line). S 8
10 Figure S8. Co L-edge X-ray absorption spectra of Co(L-OMe)(OTf), Co(L-t-Bu)(OTf), and Co(L-Cl)(OTf), in comparison with Co III (L-t-Bu)(OAc). S 9
11 Figure S9. (a) Temperature dependence of the magnetic moment (µ eff ) of polycrystalline samples of Co II (L-t-Bu) (blue circle) and Co(L-t-Bu)(OTf) (red circle) in an applied field of 1 koe. The solid lines represent best fits with parameters for Co II (L-t-Bu): S = 1/2; g = 2.44; χ TIP = emu; θ = 1.4 K, and for Co III (L-t-Bu)(OTf): S = 1; [D] = 30 cm 1 ; E/D = 0.3; g = 2.08; χ TIP = emu. (b) Temperature dependence of the magnetic moment (µ eff ) of polycrystalline samples of Co II (L-Cl) (blue circle) and Co(L-Cl)(OTf) (red circle) in an applied field of 1 koe. The solid lines represent best fits with parameters for Co II (L-Cl): S = 1/2; g = 2.4; χ TIP = emu; θ = 1.5 K, and for Co III (L-Cl)(OTf): S = 1; [D] = 35 cm 1 ; E/D = 0.3; g = 2.11; χ TIP = emu. The simulation was done by julx written by E. Bill. Details for julx, see S 10
12 Figure S10. (a) Temperature dependence of the magnetic moment (µ eff ) of a polycrystalline sample of Co(L-OMe/t-Bu)(OTf) (red circle) in an applied field of 1 koe. The solid line represents the best fit with parameters for Co III (L-OMe/t-Bu)(OTf): S = 1; [D] = 36 cm 1 ; E/D = 0.3; g = 2.04; χ TIP = emu. (b) Temperature dependence of the magnetic moment (µ eff ) of a polycrystalline sample of Co(L-OMe/Cl)(OTf) (red circle) in an applied field of 1 koe. The solid line represents the best fit with parameters for Co III (L-OMe/Cl)(OTf): S = 1; [D] = 35 cm 1 ; E/D = 0.3; g = 2.12; χ TIP = emu. The simulation was done by julx written by E. Bill. Details for julx, see S 11
13 Figure S11. X-band EPR spectra of 2 mm frozen solution of (a) Co II (L-t-Bu) (blue line) and Co(L-t-Bu)(OTf) (red line), and (b) Co II (L-Cl) (blue line) and Co(L-Cl)(OTf) (red line). Conditions: temperature, 4K; solvent, frozen 30% toluene CH 2 Cl 2 ; microwave frequency, 9.65 GHz; microwave power, 0.5 mw; modulation amplitude, 7G; time constant, ms; conversion time, ms. S 12
14 Figure S12. Experimental (black line) and simulated (red line) EPR spectra of (a) Co II (L-OMe), (b) Co II (L-t-Bu), and (c) Co II (L-Cl). Experimental conditions are given in Figure 4 and Figure S11. The simulation was carried out using EasySpin with the simulation parameters as follows: (a) microwave frequency; GHz, g x = 2.75; g y = 2.00; g z = 1.90; A x = 180 G; A y = 36 G; A z = 4 G; line width (full width at half maximum), 150 G; temperature, 4.0 K. (b) microwave frequency; GHz, g x = 2.75; g y = 2.01; g z = 1.88; A x = 180 G; A y = 36 G; A z = 4 G; line width (full width at half maximum), 150 G; temperature, 4.0 K. (c) microwave frequency; GHz, g x = 2.75; g y = 2.02; g z = 1.87; A x = 250 G; A y = 36 G; A z = 4 G; line width (full width at half maximum), 200 G; temperature, 4.0 K. S 13
15 Chart S1. Selectively deuterated salen ligands for 2 H NMR measurements. In L-t-Bu-d 4, 2 H atoms are selectively incorporated into the phenolate rings (80% D) and the tert-butyl groups (7% D). The L-t-Bu-d 2 ligand is selectively deuterated at the 7/7 positions (99.5% D). S 14
16 Figure S13. 1 H NMR spectrum of 20 mm solution of Co II (L-t-Bu) in CD 2 Cl 2 at 298 K (black line). 2 H NMR spectra of 20 mm solution of Co II (L-t-Bu-d 4 ) (red line) and Co II (L-t-Bu-d 2 ) (blue line) in CH 2 Cl 2 at 298 K. The structures of selectively deuterated salen ligands, L-t-Bu-d 4 and L-t-Bu-d 2, are shown in Chart S1. The signals denoted with an asterisk come from residual CHDCl 2 and are referenced to 5.32 ppm. The signals denoted with t-bu and PhO arise from the tert-butyl and phenolate protons, respectively. The assignment of the tert-butyl groups was done by comparing the 1 H NMR spectra of Co II (L-OMe), Co II (L-t-Bu), and Co II (L-Cl) (Figure S15, Supporting Information). S 15
17 Figure S14. 1 H NMR spectrum of 20 mm solution of Co(L-t-Bu)(OTf) in CD 2 Cl 2 at 298 K (black line). 2 H NMR spectra of 20 mm solution of Co(L-t-Bu-d 4 )(OTf) (red line) and Co(L-t-Bu-d 2 )(OTf) (blue line) in CH 2 Cl 2 at 298 K. The structures of selectively deuterated salen ligands, L-t-Bu-d 4 and L-t-Bu-d 2, are shown in Chart S1. The signals denoted with an asterisk come from residual CHDCl 2 and are referenced to 5.32 ppm. The signals denoted with t-bu and PhO arise from the tert-butyl and phenolate protons, respectively. The assignment of the tert-butyl groups was done by comparing the 1 H NMR spectra of Co(L-OMe)(OTf), Co(L-t-Bu)(OTf), and Co(L-Cl)(OTf) (Figure S16, Supporting Information). S 16
18 Figure S15. at 298 K. 1 H NMR spectra of 20 mm solution of (a) Co II (L-OMe), (b) Co II (L-t-Bu), and (c) Co II (L-Cl) in CD 2 Cl 2 The signals designated with an asterisk come from residual CHDCl 2 and are referenced to 5.32 ppm. The signal at 1.5 ppm is assigned as arising from residual H 2 O. The signals designated with t-bu and PhO arise from the tert-butyl and phenolate protons in Co II (L-t-Bu), respectively, as determined by 2 H NMR spectra of Co II (L-t-Bu-d 4 ) (Figure S13, Supporting Information). The signal that arises from the azomethine proton in Co II (L-t-Bu) is determined by the 2 H NMR spectrum of Co II (L-t-Bu-d 2 ) (Figure S13, Supporting Information). S 17
19 Figure S16. 1 H NMR spectra of 20 mm solution of (a) Co(L-OMe)(OTf), (b) Co(L-t-Bu)(OTf), and (c) Co(L-Cl)(OTf) in CD 2 Cl 2 at 298 K. The signals designated with an asterisk come from residual CHDCl 2 and are referenced to 5.32 ppm. The signal at 3.4 ppm in (c) Co(L-Cl)(OTf) is assigned as arising from H 2 O. The signals designated with t-bu and PhO arise from the tert-butyl and phenolate protons in Co(L-t-Bu)(OTf), respectively, as determined by 2 H NMR spectra of Co(L-t-Bu-d 4 )(OTf) (Figure S14, Supporting Information). The signal arising from the MeO group is assigned by comparing the spectra of (a) (c). The signal that arises from the azomethine proton in Co(L-t-Bu)(OTf) is determined by the 2 H NMR spectrum of Co(L-t-Bu-d 2 )(OTf) (Figure S14, Supporting Information). S 18
20 Figure S17. 2 H NMR Curie plots and linear least-squares fits to the data for (a) Co II (L-t-Bu-d 4 ) and Co II (L-t-Bu-d 2 ). S 19
21 Figure S18. 1 H NMR Curie plots and linear least-squares fits to the data for (a) Co(L-OMe)(OTf), (b) Co(L-t-Bu)(OTf), (c) Co(L-t-Bu-d 2 )(OTf), (d) Co(L-OMe/t-Bu)(OTf), and (e) Co(L-OMe/Cl)(OTf). Temperature dependence of the 1 H NMR signals from Co(L-Cl)(OTf) cannot be determined due to signal broadening at lower temperatures. S 20
22 Figure S19. 1 H NMR spectrum of 20 mm solution of Co II (L-t-Bu) in pyridine-d 5 at 298 K (black line). 2 H NMR spectra of 20 mm solution of Co II (L-t-Bu-d 4 ) (red line) and Co II (L-t-Bu-d 2 ) (blue line) in pyridine at 298 K. Measurements were carried out under anaerobic Ar atmosphere. The structures of selectively deuterated salen ligands, L-t-Bu-d 4 and L-t-Bu-d 2, are shown in Chart S1. The signals denoted with an asterisk come from residual pyridine and are referenced to 8.71, 7.55, 7.19 ppm. The signals denoted with t-bu and PhO arise from the tert-butyl and phenolate protons, respectively. The assignment of the tert-butyl groups was done by comparing the 1 H NMR spectra of Co II (L-OMe), Co II (L-t-Bu), and Co II (L-Cl) in pyridine-d 6 (Figure S20, Supporting Information). The signal at 4.9 ppm is assigned as arising from residual H 2 O in pyridine-d 6. S 21
23 Figure S20. 1 H NMR spectra of 20 mm solution of (a) Co II (L-OMe), (b) Co II (L-t-Bu), and (c) Co II (L-Cl) in pyridine-d 5 at 298 K. Measurements were carried out under anaerobic Ar atmosphere. The signals designated with an asterisk come from residual pyridine and are referenced to 8.71, 7.55, 7.19 ppm. The signal at 4.9 ppm is assigned as arising from residual H 2 O. The signals designated with t-bu and PhO arise from the tert-butyl and phenolate protons in Co II (L-t-Bu), respectively, as determined by 2 H NMR spectra of Co II (L-t-Bu-d 4 ) in pyridine-d 5 (Figure S19, Supporting Information). S 22
24 Figure S21. 1 H NMR spectra of 20 mm solution of (a) Co II (L-OMe), (b) Co II (L-OMe/t-Bu), and (c) Co II (L-OMe/Cl) in CD 2 Cl 2 at 298 K. The signals designated with an asterisk come from residual CHDCl 2 and are referenced to 5.32 ppm. S 23
25 Figure S22. 1 H NMR spectra of 20 mm solution of (a) Co(L-t-Bu)(SbF 6 ), (b) Co(L-t-Bu)(OTf), and (c) Co(L-t-Bu)(OTs) in CH 2 Cl 2 at 298 K. The signals designated with an asterisk come from residual CHDCl 2 and are referenced to 5.32 ppm. The signals designated with t-bu and PhO arise from the tert-butyl and phenolate protons in Co(L-t-Bu)(OTf), respectively, as determined by 2 H NMR spectra of Co(L-t-Bu-d 4 )(OTf) (Figure S14, Supporting Information). The signal that arises from the azomethine proton in Co(L-t-Bu)(OTf) is determined by the 2 H NMR spectrum of Co(L-t-Bu-d 2 )(OTf) (Figure S14, Supporting Information). S 24
26 Figure S23. (a) Absorption spectra of Co II (L-OMe) (blue line), Co II (L-t-Bu) (red line), and Co II (L-Cl) (black line) in CH 2 Cl 2 at 298 K (0.5 mm, l = 0.1 cm). (b) Absorption spectra of Co II (L-OMe) (black line), Co II (L-OMe/t-Bu) (blue line), and Co II (L-OMe/Cl) (red line) in CH 2 Cl 2 at 298 K (0.5 mm, l = 0.1 cm). No absorption is observed in the range > 700 nm. S 25
27 Figure S24. Absorption spectra of (a) Co(L-OMe)(OTf), (b) Co(L-t-Bu)(OTf), and (c) Co(L-Cl)(OTf) in the solid state (red line) and in CH 2 Cl 2 at 298 K (0.5 mm, l = 0.1 cm, black line). The absorption spectra in the solid are shown using absorbance (right axis), and the absorption spectra in CH 2 Cl 2 are shown using ε (left axis). S 26
28 Figure S25. Absorption spectra of Co(L-OMe)(OTf) in CH 2 Cl 2 at 298, 253 and 213 K (0.5 mm, l = 0.1 cm). S 27
29 Figure S26. ESI-MS spectra in CH 3 OH at the cone voltage of 40 V (top) and theoretical isotope distribution patterns for [Co(salen)] + (bottom) of (a) Co(L-OMe/t-Bu)(OTf) and (b) Co(L-OMe/Cl)(OTf). The ion signals that arise from symmetrical cobalt salen complexes, m/z , in (a) and m/z , in (b) are not detected at all. S 28
A versatile electronic hole in one-electron oxidized Ni II bissalicylidene
Electronic Supplementary Information for manuscript: A versatile electronic hole in one-electron oxidized Ni II bissalicylidene phenylenediamine complexes Olaf Rotthaus, Olivier Jarjayes,* Carlos Perez
More informationSynthesis of two copper clusters and their catalysis towards the oxidation of benzene
Electronic Supplementary Material (ESI) for RSC Advances. This journal is The Royal Society of Chemistry 2014 Electronic Supplementary Information Synthesis of two copper clusters and their catalysis towards
More informationEur. J. Inorg. Chem WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim, 2013 ISSN SUPPORTING INFORMATION
Eur. J. Inorg. Chem. 2013 WILEY-VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, 2013 ISSN 1099 0682 SUPPORTING INFORMATION DOI: 10.1002/ejic.201300309 Title: Hydrogen Evolution Catalyzed by Aluminum-Bridged
More informationSupplementary Figure 1. Mass spectrum (top) and 1 H NMR spectrum (bottom, in CDCl 3 ) of [ppy 2 IrNH] + PF 6 -.
Supplementary Figure 1. Mass spectrum (top) and 1 H NMR spectrum (bottom, in CDCl 3 ) of [ppy 2 IrNH] + PF 6 -. 1 Supplementary Figure 2. Mass spectrum (top) and 1 H NMR spectrum (bottom, in CDCl 3 ) of
More informationThienopyrrole and Selenophenopyrrole Donor Fused with Benzotriazole Acceptor: Microwave Assisted Synthesis and Electrochemical Polymerization
Electronic Supplementary Material (ESI) for RSC Advances. This journal is The Royal Society of Chemistry 2014 Supporting Information Thienopyrrole and Selenophenopyrrole Donor Fused with Benzotriazole
More informationELECTRONIC SUPPLEMENATRY INFORMATION. Tunable electronic interactions between anions and perylenediimide
ELECTRONIC SUPPLEMENATRY INFORMATION Tunable electronic interactions between anions and perylenediimide Flynt S. Goodson, a Dillip K. Panda, a Shuvasree Ray, a Atanu Mitra, a Samit Guha a and Sourav Saha*
More informationReaction Landscape of a Pentadentate N5-Ligated Mn II Complex with O 2
Electronic Supplementary Information for: Reaction Landscape of a Pentadentate N5-Ligated Mn II Complex with O - and H O Includes Conversion of a Peroxomanganese(III) Adduct to a Bis(µ- O)dimanganese(III,IV)
More informationElectronic, Magnetic, Redox Properties and O 2 Reactivity of Fe(II) Uncovering the Intradiol Cleaving Reactivity of an Fe(II)-osemiquinonate
Electronic Supporting Information Electronic, Magnetic, Redox Properties and O 2 Reactivity of Fe(II) and Ni(II)-o-Semiquinonate Complexes of a Tris(thioether) Ligand: Uncovering the Intradiol Cleaving
More informationBistriazole-p-benzoquinone and its alkali salts: electrochemical behaviour in aqueous alkaline solutions
Electronic Supplementary Material (ESI) for Dalton Transactions. This journal is The Royal Society of Chemistry 2017 Bistriazole-p-benzoquinone and its alkali salts: electrochemical behaviour in aqueous
More informationElectronic Supporting Information
Electronic Supplementary Material (ESI) for Dalton Transactions. This journal is The Royal Society of Chemistry 2014 Electronic Supporting Information Assembly of HeterobimetallicNi II -Ln III (Ln III
More informationSupporting Information
Supporting Information Kinetic and Mechanistic Characterization of Low-Overpotential, H2O2-Selective Reduction of O2 Catalyzed by N2O2-Ligated Cobalt Complexes Yu-Heng Wang, Zachary K. Goldsmith, Patrick
More informationElectronic Supplementary Information (ESI) Dual Homogeneous and Heterogeneous Pathways in Photo- and
Electronic Supplementary Information (ESI) Dual Homogeneous and Heterogeneous Pathways in Photo- and Electrocatalytic Hydrogen Evolution with Nickel(II) Catalysts Bearing Tetradentate Macrocyclic Ligands
More informationNickel Phosphine Catalysts with Pendant Amines. for the Electrocatalytic Oxidation of Alcohols
Electronic Supplementary Material (ESI) for ChemComm. This journal is The Royal Society of Chemistry 2015 Nickel Phosphine Catalysts with Pendant Amines for the Electrocatalytic Oxidation of Alcohols Charles
More informationPrabhat Gautam, Bhausaheb Dhokale, Shaikh M. Mobin and Rajneesh Misra*
Supporting Information Ferrocenyl BODIPYs: Synthesis, Structure and Properties Prabhat Gautam, Bhausaheb Dhokale, Shaikh M. Mobin and Rajneesh Misra* Department of Chemistry, Indian Institute of Technology
More informationCo(I)-Mediated Removal of Addends on the C60 Cage and Formation of Monovalent Cobalt Complex CpCo(CO)(η 2 -C60)
Supporting Information Co(I)-Mediated Removal of Addends on the C60 Cage and Formation of Monovalent Cobalt Complex CpCo(CO)(η 2 -C60) Yoshifumi Hashikawa, Michihisa Murata, Atsushi Wakamiya, and Yasujiro
More information[MnBrL(CO) 4 ] (L = Amidinatogermylene): Reductive Dimerization, Carbonyl Substitution, and Hydrolysis Reactions
SUPPORTING INFORMATION (Organometallics, Ms. ID: om-2016-00168w) [MnBrL(CO) 4 ] (L = Amidinatogermylene): Reductive Dimerization, Carbonyl Substitution, and Hydrolysis Reactions Javier A. Cabeza,* Pablo
More informationElectronic Supplementary Information for Sulfur, Oxygen, and Nitrogen Mustards: Stability and Reactivity
Electronic Supplementary Information for Sulfur, Oxygen, and Nitrogen Mustards: Stability and Reactivity Contents Qi-Qiang Wang, Rowshan Ara Begum, Victor W. Day, Kristin Bowman-James* Department of Chemistry,
More informationSupplementary Figures
Supplementary Figures Supplementary Figure 1. DFT optimized structure of the [Ag III (L 1 )](ClO 4 ) 2 (1 ClO4 ) complex (CCDC code 978368). Hydrogen atoms and the two perchlorate anions have been omitted
More informationThe Aldimine Effect in Bis(imino)pyridine Complexes: Non-Planar Nickel(I) Complexes of a Bis(aldimino)pyridine Ligand
Electronic Supplementary Material (ESI) for ChemComm. This journal is The Royal Society of Chemistry 2015 Supporting Information for: The Aldimine Effect in Bis(imino)pyridine Complexes: Non-Planar Nickel(I)
More informationSingle Catalyst Electrocatalytic Reduction of CO 2 in Water to H 2 :CO Syngas Mixtures with Water Oxidation to O 2
Electronic Supplementary Material (ESI) for Energy & Environmental Science. This journal is The Royal Society of Chemistry 2014 Supporting Information Single Catalyst Electrocatalytic Reduction of CO 2
More informationRedox Noninnocence of the Bridge in Copper(II) Salophen and bis-oxamato Complexes
Electronic supplementary Information for Redox Noninnocence of the Bridge in Copper(II) Salophen and bis-oxamato Complexes David de Bellefeuille, a Maylis Orio, b Anne-Laure Barra, c Ally Aukauloo, d,e
More informationSupporting Information. Dioxygen Activation and O-O Bond Formation Reactions by Manganese Corroles
Supporting Information Dioxygen Activation and O-O Bond Formation Reactions by Manganese Corroles Mian Guo, Yong-Min Lee, Ranjana Gupta, Mi Sook Seo, Takehiro Ohta, Hua-Hua Wang, Hai-Yang Liu, Sunder N.
More informationSupporting Information
Electronic Supplementary Material (ESI) for Journal of Materials Chemistry A. This journal is The Royal Society of Chemistry 2018 Supporting Information Fig. S1 TGA curves of UiO-67, RuCl@UiO, RuOH 2@UiO,
More informationCatalyst-Free Reaction of Ethynyl-π-Extended Electron Acceptors with Amines
Catalyst-Free Reaction of Ethynyl-π-Extended Electron Acceptors with Amines Atsuro Takai* and Masayuki Takeuchi* 2018 The Chemical Society of Japan Table of Contents S1. Synthesis and Characterization
More informationDepartment of Chemistry, University of Basel, St. Johanns-Ring 19, Spitalstrasse 51, and Klingelbergstrasse 80, CH-4056 Basel, Switzerland
Charge Transfer Pathways in Three Isomers of Naphthalene-Bridged Organic Mixed Valence Compounds Hauke C. Schmidt, Mariana Spulber, Markus Neuburger, Cornelia G. Palivan, Markus Meuwly,* and Oliver S.
More informationElectronic Supporting Information. for. Group 13 Complexes of Dipyridylmethane, a Forgotten Ligand in Coordination Chemistry
Electronic Supplementary Material (ESI) for Dalton Transactions. This journal is The Royal Society of Chemistry 2015 Electronic Supporting Information for Group 13 Complexes of Dipyridylmethane, a Forgotten
More informationSupporting Information. Crystal structures, magnetic and electrochemical properties of. coordination polymers based on the
Supporting Information Crystal structures, magnetic and electrochemical properties of coordination polymers based on the tetra(4-pyridyl)-tetrathiafulvalene ligand Hai-Ying Wang, Yue Wu, Chanel F. Leong,
More informationElectronic Supporting Information
Electronic Supplementary Material (ESI) for RSC Advances. This journal is The Royal Society of Chemistry 2015 Electronic Supporting Information A fast and selective probe for detection of CN - and F -
More informationSUPPLEMENTARY INFORMATION
Electronic Supplementary Material (ESI) for CrystEngComm. This journal is The Royal Society of Chemistry 2014 SUPPLEMENTARY INFORMATION Quasi-Enantiomeric Single-Nucleoside and Quasi-Racemic Two-Nucleosides
More informationMetal-Organic Frameworks Based on Rigid Ligands as Separator. Supporting Information
Electronic Supplementary Material (ESI) for Dalton Transactions. This journal is The Royal Society of Chemistry 2015 Metal-Organic Frameworks Based on Rigid Ligands as Separator Membranes in Supercapacitor
More informationSupplementary Figure 1. ToF-SIMS data obtained for the Au(111) surface after the sublimation of the Cu-BCOD (mass 889 a.u.). During the sublimation
Supplementary Figure 1. ToF-SIMS data obtained for the Au(111) surface after the sublimation of the Cu-BCOD (mass 889 a.u.). During the sublimation process, Cu-BCOD was converted into Cu-Benzo (mass 786
More informationSupporting Information for the manuscript
Supporting Information for the manuscript Multielectron Redox Chemistry of Lanthanide Ions Supported by Tetradentate Schiff Bases. Clément Camp, Valentin Guidal, Biplab Biswas, Jacques Pécaut, Lionel Dubois
More informationSupporting Information
Supporting Information Non-Heme Diiron Model Complexes Can Mediate Direct NO Reduction: Mechanistic Insight Into Flavodiiron NO Reductases Hai T. Dong, a Corey J. White, a Bo Zhang, b Carsten Krebs, b
More informationSupporting Information 1. Rhodium-catalyzed asymmetric hydroalkoxylation and hydrosufenylation of diphenylphosphinylallenes
Supporting Information 1 Rhodium-catalyzed asymmetric hydroalkoxylation and hydrosufenylation of diphenylphosphinylallenes Takahiro Kawamoto, Sho Hirabayashi, Xun-Xiang Guo, Takahiro Nishimura,* and Tamio
More information12. Structure Determination: Mass Spectrometry and Infrared Spectroscopy
12. Structure Determination: Mass Spectrometry and Infrared Spectroscopy Determining the Structure of an Organic Compound The analysis of the outcome of a reaction requires that we know the full structure
More informationInterpretation of Organic Spectra. Chem 4361/8361
Interpretation of Organic Spectra Chem 4361/8361 Characteristics of Common Spectrometric Methods H-1 C-13 MS IR/RAMAN UV-VIS ORD/CD X- RAY Radiation type RF RF Not relevant IR UV to visible UV to visible
More informationSupporting Information. Selective Synthesis of Iridium(III) End-Capped. Polyynes by Oxidative Addition of 1-Iodopolyynes
Electronic Supplementary Material (ES) for Dalton Transactions. This journal is The Royal Society of Chemistry 2018 Supporting nformation Selective Synthesis of ridium() End-Capped Polyynes by Oxidative
More information7a. Structure Elucidation: IR and 13 C-NMR Spectroscopies (text , , 12.10)
2009, Department of Chemistry, The University of Western Ontario 7a.1 7a. Structure Elucidation: IR and 13 C-NMR Spectroscopies (text 11.1 11.5, 12.1 12.5, 12.10) A. Electromagnetic Radiation Energy is
More informationElectronic Supplementary Information
Electronic Supplementary Material (ESI) for Dalton Transactions. This journal is The Royal Society of Chemistry 2016 Electronic Supplementary Information for uminum complexes containing salicylbenzoxazole
More informationElectronic Supplementary Information. for. Catalytic interconversion between hydrogen and formic acid at ambient temperature and pressure
for Catalytic interconversion between hydrogen and formic acid at ambient temperature and pressure Yuta Maenaka, Tomoyoshi Suenobu and Shunichi Fukuzumi* X-ray crystallographic studies Crystallographic
More informationElectronic Supporting Information
Electronic Supporting Information Solid-State Coexistence of {Zr 12 } and {Zr 6 } Zirconium Oxocarboxylate Clusters Iurie L. Malaestean, Meliha Kutluca Alıcı, Claire Besson, Arkady Ellern and Paul Kögerler*
More informationReversible dioxygen binding on asymmetric dinuclear rhodium centres
Electronic Supporting Information for Reversible dioxygen binding on asymmetric dinuclear rhodium centres Takayuki Nakajima,* Miyuki Sakamoto, Sachi Kurai, Bunsho Kure, Tomoaki Tanase* Department of Chemistry,
More informationSupporting Information. Oxygen Reduction Catalysis at a Dicobalt Center: The Relationship of Faradaic Efficiency to Overpotential
Supporting Information Oxygen Reduction Catalysis at a Dicobalt Center: The Relationship of Faradaic Efficiency to Overpotential Guillaume Passard, Andrew M. Ullman, Casey N. Brodsky and Daniel G. Nocera*
More informationSupporting Information. for. Angew. Chem. Int. Ed. Z Wiley-VCH 2002
Supporting Information for Angew. Chem. Int. Ed. Z19280 Wiley-VCH 2002 69451 Weinheim, Germany A New Method for Determining the Difference in Relative Apicophilicity of Carbon Substituents of 10-P-5 Phosphoranes:
More informationThe oxide-route for the preparation of
Supporting Information for: The oxide-route for the preparation of mercury(ii) N-heterocyclic carbene complexes. Simon Pelz and Fabian Mohr* Fachbereich C-Anorganische Chemie, Bergische Universität Wuppertal,
More informationCyclams with ambidentate methylthiazolyl pendants for a stable, inert and selective Cu(II) coordination
Supporting Information for: Cyclams with ambidentate methylthiazolyl pendants for a stable, inert and selective Cu(II) coordination Aurora Rodríguez-Rodríguez, Zakaria Halime, Luís M. P. Lima, Maryline
More informationSupporting Information
Electronic Supplementary Material (ESI) for Chemical Science. This journal is The Royal Society of Chemistry 2015 Supporting Information Turning it off! Disfavouring hydrogen evolution to enhance selectivity
More informationComplexes of a porphyrin-like N 4 -donor Schiff-base macrocycle
Electronic Supplementary Information for Complexes of a porphyrin-like N 4 -donor Schiff-base macrocycle Rajni K. Wilson (née Sanyal) and Sally Brooker* [a] [a] Department of Chemistry and MacDiarmid Institute
More informationSynthesis of 1,2-glycerol carbonate from carbon dioxide: the role of methanol in fluid phase equilibrium
Electronic Supplementary Data Synthesis of 1,2-glycerol carbonate from carbon dioxide: the role of methanol in fluid phase equilibrium S Podila, L Plasseraud, H Cattey & D Ballivet-Tkatchenko* Université
More informationA novel electrolyte system without Grignard reagent for rechargeable magnisium battery
Electronic Supplementary Information A novel electrolyte system without Grignard reagent for rechargeable magnisium battery Fei-fei Wang, a,b Yong-sheng Guo, a,b Jun Yang,* a,b Yanna Nuli, a,b Shin-ichi
More informationPetru Poni Institute of Macromolecular Chemistry, Alea Gr. Ghica Voda 41A, , Iasi, Romania
Supporting Information for Charge and Spin States in Schiff Base Metal Complexes with a Disiloxane Unit Exhibiting a Strong Non-innocent Ligand Character: Synthesis, Structure, Spectroelectrochemistry,
More informationSupporting Information. for
Supporting Information for Structural and Electronic Noninnocence of -Diimine Ligands on Niobium for Reductive C Bond Activation and Catalytic Radical Addition Reactions Haruka Nishiyama, a Hideaki Ikeda,
More informationUllmann-Type Intramolecular C-O Reaction Toward Thieno[3,2-b]furan Derivatives with up to Six Fused Rings
Ullmann-Type Intramolecular C-O Reaction Toward Thieno[3,2-b]furan Derivatives with up to Six Fused Rings Daoliang Chen,, Dafei Yuan,, Cheng Zhang,, Hao Wu,, Jianyun Zhang,, Baolin Li*, and Xiaozhang Zhu*,,
More informationStabilization of a Reactive Polynuclear Silver Carbide Cluster through the Encapsulation within Supramolecular Cage
Supporting Information Stabilization of a Reactive Polynuclear Silver Carbide Cluster through the Encapsulation within Supramolecular Cage Cai-Yan Gao, Liang Zhao,* and Mei-Xiang Wang* The Key Laboratory
More informationSynthesis of a Radical Trap
Chemistry Catalyzed oxidation with hydrogen peroxide Trapping of a free radical (spin trapping) Technique Acquisition and interpretation of ESR spectra Radical trap molecule that reacts with short-lived
More informationList of contents: 1. Table S1 of The crystallographic and refinement data of 1, 2, and TableS2 of Bond lengths and bond angles of 1 3
Transfer Hydrogenation (ph independent) of Ketones and Aldehydes in Water with Glycerol: Ru, Rh and Ir Catalysts with COOH Group Near Metal on (Phenylthio)methyl-2-Pyridine Scaffold Om Prakash, Hemant
More information1,4-Dihydropyridyl Complexes of Magnesium: Synthesis by Pyridine. Insertion into the Magnesium-Silicon Bond of Triphenylsilyls and
Electronic Supplementary Material (ESI) for Dalton Transactions. This journal is The Royal Society of Chemistry 2018 Electronic Supporting Information 1,4-Dihydropyridyl Complexes of Magnesium: Synthesis
More informationSupporting Information
Supporting Information Ge et al. 10.1073/pnas.1203743109 SI Text Cyclic Voltammetry Simulations. The cyclic voltammograms simulated were obtained by using Digisim 3.03 assuming the following set of reactions:
More informationSupplementary Figure 1. Characterization of immobilized cobalt protoporphyrin electrode. The cyclic voltammogram of: (a) pyrolytic graphite
Supplementary Figure 1. Characterization of immobilized cobalt protoporphyrin electrode. The cyclic voltammogram of: (a) pyrolytic graphite electrode; (b) pyrolytic graphite electrode with 100 µl 0.5 mm
More informationSupporting Information
Supporting Information Synthesis and Characterization of Quarteranthene: Elucidating the Characteristics of the Edge State of Graphene Nanoribbons at the Molecular Level Akihito Konishi, Yasukazu Hirao,
More informationA Compactly Fused π Conjugated Tetrathiafulvalene Perylenediimide Donor Acceptor Dyad
Supporting Information for: A Compactly Fused π Conjugated Tetrathiafulvalene Perylenediimide Donor Acceptor Dyad Michael Jaggi, a Carmen Blum, a Nathalie Dupont, b Jakob Grilj, b Shi-Xia Liu, *,a Jürg
More informationSupporting Information for Synthesis, Stability and Reactivity of the First Mononuclear Nonheme Oxoiron(IV) Species with Monoamido Ligation: A
Electronic Supplementary Material (ESI) for ChemComm. This journal is The Royal Society of Chemistry 2014 Supporting Information for Synthesis, Stability and Reactivity of the First Mononuclear Nonheme
More informationSupplementary Information (ESI)
Supplementary Information (ESI) Comparative study of the catalytic activity of [Mn II (bpy) 2 Cl 2 ] and [Mn 2 III/IV (µ-o) 2 (bpy) 4 ](ClO 4 ) 3 in the H 2 O 2 induced oxidation of organic dyes in carbonate
More informationSupporting Information for:
Supporting Information for: Paired Electrolysis in the Simultaneous Production of Synthetic Intermediates and Substrates Mark J Llorente, a Bichlien H Nguyen, b Clifford P Kubiak,*,a Kevin D Moeller b
More informationSupporting Information
Supporting Information (Tetrahedron. Lett.) Cavitands with Inwardly and Outwardly Directed Functional Groups Mao Kanaura a, Kouhei Ito a, Michael P. Schramm b, Dariush Ajami c, and Tetsuo Iwasawa a * a
More informationLecture 2 nmr Spectroscopy
Lecture 2 nmr Spectroscopy Pages 427 430 and Chapter 13 Molecular Spectroscopy Molecular spectroscopy: the study of the frequencies of electromagnetic radiation that are absorbed or emitted by substances
More informationThe Cobalt Hydride that Never Was: Revisiting Schrauzer s Hydridocobaloxime David C. Lacy, Gerri M. Roberts, Jonas C. Peters*
Supporting Information for The Cobalt Hydride that Never Was: Revisiting Schrauzer s Hydridocobaloxime David C. Lacy, Gerri M. Roberts, Jonas C. Peters* Division of Chemistry and Chemical Engineering,
More informationCHEM Chapter 13. Nuclear Magnetic Spectroscopy (Homework) W
CHEM 2423. Chapter 13. Nuclear Magnetic Spectroscopy (Homework) W Short Answer 1. For a nucleus to exhibit the nuclear magnetic resonance phenomenon, it must be magnetic. Magnetic nuclei include: a. all
More informationElectronic Supplementary Information (ESI) for
Electronic Supplementary Material (ESI) for Energy & Environmental Science. This journal is The Royal Society of Chemistry 2016 Electronic Supplementary Information (ESI) for Highly water- soluble three-
More informationThe Design and Synthesis of 60 Dendritic Donor Ligands and Their. Coordination-Driven Self-Assembly into Supramolecular. Rhomboidal Metallodendrimers
The Design and Synthesis of 60 Dendritic Donor Ligands and Their Coordination-Driven Self-ssembly into Supramolecular Rhomboidal Metallodendrimers Qing Han, Quan-Jie Li, Jiuming He &, ingjie Hu #, Hongwei
More informationSupplementary Material (ESI) for Chemical Communications This journal is (c) The Royal Society of Chemistry Supporting Information for
Supporting Information for Structural Characterisation and Elucidation of the Electronic Structure of the Mononuclear Pt(III) Complex [Pt([9]aneS 3 ) 2 ] 3+ ([9]aneS 3 = 1,4,7-trithiacyclononane) Emma
More informationMerging Catalysis and Supramolecular Aggregation Features of Triptycene based Zn(salphen)s
ESI for: Merging Catalysis and Supramolecular Aggregation Features of Triptycene based Zn(salphen)s Daniele Anselmo, a Giovanni Salassa, a Eduardo C. Escudero-Adan, a Eddy Martin, a and Arjan W. Kleij*
More informationElectronic Supplementary Information
Electronic Supplementary Information A new class of organic donor-acceptor molecules with large third-order optical nonlinearities Tsuyoshi Michinobu, a Joshua C. May, b Jin H. Lim, b Corinne Boudon, c
More informationElectronic Supplementary Information (ESI) for. Stereoselective photoreaction in P-stereogenic dithiazolylbenzo[b]phosphole chalcogenides
Electronic Supplementary Material (ESI) for New Journal of Chemistry. This journal is The Royal Society of Chemistry and the Centre National de la Recherche Scientifique 216 Electronic Supplementary Information
More informationSupporting Information
Supporting Information A Trinitrosyl Iron Complex (a {Fe(NO) 3 } 10 TNIC) Stabilized by an N- Heterocyclic Carbene and the Cationic and Neutral {Fe(NO) 2 } 9/10 Products of Its NO Release Chung-Hung Hsieh
More informationNitroxide polymer networks formed by Michael addition: on site-cured electrode-active organic coating
Supporting information for: Nitroxide polymer networks formed by Michael addition: on site-cured electrode-active organic coating Takeshi Ibe, a Rainer B. Frings, b Artur Lachowicz, b Soichi Kyo, a and
More informationSupporting Information
Electronic Supplementary Material (ESI) for Journal of Materials Chemistry A. This journal is The Royal Society of Chemistry 2016 Supporting Information Highly oriented MOF thin film-based electrocatalytic
More informationMETHODOLOGY AND INSTRUMENTATION. purification in most cases. Solvents used for air- and moisture-sensitive reactions were
96 A p p e n d i x A METHODOLOGY AND INSTRUMENTATION Materials: Solvents, including dichloromethane, acetonitrile, acetone, methanol, ethyl acetate, tetrahydrofuran, benzene, and toluene were purchased
More informationChemical Communication RSC Publishing
Chemical Communication RSC Publishing Supporting Information 1 Table of Contents Experimental Section and Physical Measurements Figure S1. Cyclic Voltammogram of 1 in THF at 22 C. Figure S2. Cyclic Voltammogram
More informationSupplementary Information. Seeding Approach to Noble Metal Decorated Conducting Polymer Nanofiber Network
Supplementary Information Seeding Approach to Noble Metal Decorated Conducting Polymer Nanofiber Network Zhen Liu, Selcuk Poyraz, Yang Liu, Xinyu Zhang* Department of Polymer and Fiber Engineering, Auburn
More informationInorganic Spectroscopic and Structural Methods
Inorganic Spectroscopic and Structural Methods Electromagnetic spectrum has enormous range of energies. Wide variety of techniques based on absorption of energy e.g. ESR and NMR: radiowaves (MHz) IR vibrations
More informationWhite Phosphorus is Air-Stable Within a Self-Assembled Tetrahedral Capsule
www.sciencemag.org/cgi/content/full/324/5935/1697/dc1 Supporting Online Material for White Phosphorus is Air-Stable Within a Self-Assembled Tetrahedral Capsule Prasenjit Mal, Boris Breiner, Kari Rissanen,
More informationPrinciples of Molecular Spectroscopy: Electromagnetic Radiation and Molecular structure. Nuclear Magnetic Resonance (NMR)
Principles of Molecular Spectroscopy: Electromagnetic Radiation and Molecular structure Nuclear Magnetic Resonance (NMR) !E = h" Electromagnetic radiation is absorbed when the energy of photon corresponds
More informationRational design of light-directed dynamic spheres
Electronic Supplementary Information (ESI) Rational design of light-directed dynamic spheres Yumi Okui a and Mina Han* a,b a Department of Chemistry and Department of Electronic Chemistry Tokyo Institute
More informationNUCLEAR MAGNETIC RESONANCE AND INTRODUCTION TO MASS SPECTROMETRY
NUCLEAR MAGNETIC RESONANCE AND INTRODUCTION TO MASS SPECTROMETRY A STUDENT SHOULD BE ABLE TO: 1. Identify and explain the processes involved in proton ( 1 H) and carbon-13 ( 13 C) nuclear magnetic resonance
More informationStructure, Electrochemical and Magnetic Properties of a New Dinuclear Copper(II) Complex: [Cu 2 ) 2 (C 12 O 4 H 6 N 2
Structure, Electrochemical and Magnetic Properties of a New Dinuclear Copper(II) Complex: [Cu 2 (C 12 H 6 O 4 N 2 ) 2 (2,2 -bipy) 2 ] CH 3 OH Ying-Qun Yang, Man-Sheng Chen, Wei Li, and Zhi-Min Chen Department
More informationSupplementary Information. Two Cyclotriveratrylene Metal-Organic Frameworks as Effective Catalysts
Electronic Supplementary Material (ESI) for Dalton Transactions. This journal is The Royal Society of Chemistry 2018 Supplementary Information Two Cyclotriveratrylene Metal-Organic Frameworks as Effective
More informationTwo-electron oxidation of water to form hydrogen peroxide catalysed by Silicon-porphyrins
Electronic Supplementary Material (ESI) for Sustainable Energy & Fuels. This journal is The Royal Society of Chemistry 2018 Electronic Supplementary Information for Two-electron oxidation of water to form
More informationMagnetic nanoparticle-supported proline as a recyclable and recoverable ligand for the CuI catalyzed arylation of nitrogen nucleophiles
Magnetic nanoparticle-supported proline as a recyclable and recoverable ligand for the CuI catalyzed arylation of nitrogen nucleophiles Gagan Chouhan, Dashan Wang and Howard Alper* Centre for Catalysis
More informationFrom Double-Shelled Grids to Supramolecular Frameworks
Electronic Supplementary Material (ESI) for ChemComm. This journal is The Royal Society of Chemistry 2018 From Double-Shelled Grids to Supramolecular Frameworks Jianfeng Wu, Mei Guo, Xiao-Lei Li, Lang
More informationCoupling of Functional Hydrogen Bonds in Pyridoxal-5 -phosphate- Enzyme Model Systems Observed by Solid State NMR
Supporting Information for Coupling of Functional ydrogen Bonds in Pyridoxal-5 -phosphate- Enzyme Model Systems bserved by Solid State NMR Shasad Sharif, David Schagen, Michael D. Toney, and ans-einrich
More informationSeth B. Harkins and Jonas C. Peters
Amido-bridged Cu 2 N 2 diamond cores that minimize structural reorganization and facilitate reversible redox behavior between a Cu 1 Cu 1 and a Class III delocalized Cu 1.5 Cu 1.5 species. Seth B. Harkins
More informationRare double spin canting antiferromagnetic behaviours in a. [Co 24 ] cluster
Electronic Supplementary Material (ESI) for ChemComm. This journal is The Royal Society of Chemistry 2016 Rare double spin canting antiferromagnetic behaviours in a [Co 24 ] cluster Guang-Ming Liang, Qing-Ling
More informationElectronic Supplementary Information
Electronic Supplementary Information Early-Late Heterobimetallic Rh-Ti and Rh-Zr Complexes via Addition of Early Metal Chlorides to Mono- and Divalent Rhodium Dan A. Smith and Oleg V. Ozerov* Department
More informationSupporting information for Template-directed proton conduction pathway in a coordination framework
Electronic Supplementary Material (ESI) for Journal of Materials Chemistry A. This journal is The Royal Society of Chemistry 2014 Supporting information for Template-directed proton conduction pathway
More informationSupporting Information
Supporting Information A Diiron Amido-Imido Complex [(Cp*Fe) 2 (µ 2 -NHPh)(µ 2 -NPh)]: Synthesis and a Net Hydrogen Atom Abstraction Reaction to Form a Bis(imido) Complex Shin Takemoto, Shin-ichiro Ogura,
More informationSupporting Information
Supporting Information Red-absorbing Cationic Acceptor Dyes for Photocathodes in Tandem Solar Cells. Christopher J. Wood, a Ming Cheng, b Charlotte A. Clark, a Raphael Horvath, a Ian P. Clark, c Michelle
More informationSupplementary Information for: E-H Bond Activations and Hydrosilylation Catalysis with Iron and Cobalt Metalloboranes
Supplementary Information for: E-H Bond Activations and Hydrosilylation Catalysis with Iron and Cobalt Metalloboranes Mark A. Nesbit, Daniel L. M. Suess, Jonas C. Peters* Division of Chemistry and Chemical
More informationp-tert-butylthiacalix[4]arene-surpported High-nuclearity {Co 24 M 8 } (M = Mo or W) Nanospheres and the Hybrids with Keggin Polyoxometalates
Supporting Information p-tert-butylthiacalix[4]arene-surpported High-nuclearity {Co 24 M 8 } (M = Mo or W) Nanospheres and the Hybrids with Keggin Polyoxometalates Yanfeng Bi, a,b Shangchao Du a,b and
More informationSupporting Information
Electronic Supplementary Material (ESI) for RSC Advances. This journal is The Royal Society of Chemistry 205 Supporting Information Synthesis and Structures of N-Arylcyano-β-diketiminate Zinc Complexes
More information