Molybdenum(0) Fischer ethoxycarbene complexes: Synthesis, X-ray crystal structures and DFT study
|
|
|
- Grace Phelps
- 5 years ago
- Views:
Transcription
1 Molybdenum(0) Fischer ethoxycarbene complexes: Synthesis, X-ray crystal structures and DFT study Armand Jansen van Rensburg, a Marilé Landman, a * Petrus H. van Rooyen, a Marrigje M. Conradie b and Jeanet Conradie b * Supporting information Table of Contents Optimized Cartesian coordinates (Å) [(CO) 5 MoC(OEt)(C 4 H 3 S)] (1) [(CO) 5 MoC(OEt)(C 4 H 3 O)] (2) [(CO) 5 MoC(OEt)(C 4 H 3 NMe)] (3) [(CO) 5 MoC(OEt)(C 8 H 5 S 2 )] (4) [(PPh 3 )(CO) 4 MoC(OEt)(C 4 H 3 S)] (5) [(PPh 3 )(CO) 4 MoC(OEt)(C 4 H 3 O)] (6) [(PPh 3 )(CO) 4 MoC(OEt)(C 4 H 3 NMe)] (7) [(PPh 3 )(CO) 4 MoC(OEt)(C 8 H 5 S 2 ) (8) [(AsPh 3 )(CO) 4 MoC(OEt)(C 4 H 3 S)] (9) [(AsPh 3 )(CO) 4 MoC(OEt)(C 4 H 3 O)] (10) [(AsPh 3 )(CO) 4 MoC(OEt)(C 4 H 3 NMe)] (11) [(AsPh 3 )(CO) 4 MoC(OEt)(C 8 H 5 S 2 )] (12) Crystallographic supplementary material Complex 3: Crystal data and structure refinement Complex 4: Crystal data and structure refinement Complex 5: Crystal data and structure refinement Complex 7: Crystal data and structure refinement Complex 8: Crystal data and structure refinement Complex 9: Crystal data and structure refinement Complex 10: Crystal data and structure refinement Complex 12: Crystal data and structure refinement Figures S 1 6 (Perspective drawings of 4b, 4c, 4d, 5b, 9b and 10b S1
2 Optimized Cartesian coordinates (Å) All compounds were optimized B3LYP as implemented in the Gaussian 09 program package. Geometries of the neutral complexes were optimized in gas phase with the triple-ζ basis set 6-311G(d,p) on all atoms except Mo and As, where def2- TZVPP was used. The coordinates of the lowest energy conformation of each complex are provided. 1. [(CO) 5 MoC(OEt)(C 4 H 3 S)] (1) Mo C C C C O O O O C O C C O S C H C H C H C H H C H H H [(CO) 5 MoC(OEt)(C 4 H 3 O)] (2) Mo C C C C S2
3 O O O O C O C C O O C H C H C H C H H C H H H [(CO) 5 MoC(OEt)(C 4 H 3 NMe)] (3) Mo C C C C O O O O C O C C O N C H H H C H C H C H S3
4 C H H C H H H [(CO) 5 MoC(OEt)(C 8 H 5 S 2 )] (4) Mo C C C C O O O O C O C C O S C C H C H C H H C H H H C S C C H C H H [(PPh 3 )(CO) 4 MoC(OEt)(C 4 H 3 S)] (5) Mo S4
5 C O C O C O C O C O C H H C H H H C C H C H C H S P C C H C H C H C H C H C C H C H C H C H C H C C H S5
6 C H C H C H C H [(PPh 3 )(CO) 4 MoC(OEt)(C 4 H 3 O)] (6) Mo C O C O C O C O C O C H H C H H H C C H C H C H O P C C H C H C H C H C H C S6
7 C H C H C H C H C H C C H C H C H C H C H [(PPh 3 )(CO) 4 MoC(OEt)(C 4 H 3 NMe)] (7) Mo C O C O C O C O C O C H H C H H H C C H C H C H S7
8 N P C C H C H C H C H C H C C H C H C H C H C H C C H C H C H C H C H C H H H [(PPh 3 )(CO) 4 MoC(OEt)(C 8 H 5 S 2 ) (8) Mo C O C O C O S8
9 C O C O C H H C H H H C C H C H C S P C C H C H C H C H C H C C H C H C H C H C H C C H C H C H C H C S9
10 H C C H C H C H S [(AsPh 3 )(CO) 4 MoC(OEt)(C 4 H 3 S)] (9) Mo C O C O C O C O C O C H H C H H H C C H C H C H S As C C H C H C H C H C H S10
11 C C H C H C H C H C H C C H C H C H C H C H [(AsPh 3 )(CO) 4 MoC(OEt)(C 4 H 3 O)] (10) Mo C O C O C O C O C O C H H C H H H C C H C H C H S11
12 O As C C H C H C H C H C H C C H C H C H C H C H C C H C H C H C H C H [(AsPh 3 )(CO) 4 MoC(OEt)(C 4 H 3 NMe)] (11) Mo C O C O C O C O C O C S12
13 H H C H H H C C H C H C H N As C C H C H C H C H C H C C H C H C H C H C H C C H C H C H C H C H C H H S13
14 H [(AsPh 3 )(CO) 4 MoC(OEt)(C 8 H 5 S 2 )] (12) Mo C O C O C O C O C O C H H C H H H C C H C H C S As C C H C H C H C H C H C C H C H C H C H S14
15 C H C C H C H C H C H C H C C H C H C H S Crystallographic supplementary material Complex 3: Crystal data and structure refinement Table S1. Crystal data and structure refinement for 3 Empirical formula C 13 H 11 MoNO 6 Formula weight Temperature 150(2) K Wavelength Å Crystal system Orthorhombic Space group Ama2 Unit cell dimensions a = (5) Å = 90 b = (8) Å = 90 c = (10) Å = 90 Volume (16) Å 3 Z 4 Density (calculated) Mg/m 3 Absorption coefficient mm -1 F(000) 744 Crystal size x x mm 3 Theta range for data collection to S15
16 Index ranges -9<=h<=9, -15<=k<=15, -18<=l<=18 Reflections collected Independent reflections 1521 [R(int) = ] Completeness to theta = % Absorption correction Semi-empirical from equivalents Max. and min. transmission and Refinement method Full-matrix least-squares on F 2 Data / restraints / parameters 1521 / 68 / 100 Goodness-of-fit on F Final R indices [I>2sigma(I)] R1 = , wr2 = R indices (all data) R1 = , wr2 = Absolute structure parameter 0.5(2) Extinction coefficient n/a Largest diff. peak and hole and e.å -3 Complex 4: Crystal data and structure refinement Table S2. Crystal data and structure refinement for 4 Empirical formula C 16 H 10 MoO 6 S 2 Formula weight Temperature 150(2) K Wavelength Å Crystal system Triclinic Space group P Unit cell dimensions a = (18) Å = (8) b = 9.649(3) Å = (7) c = (7) Å = (8) Volume (9) Å 3 Z 4 Density (calculated) Mg/m 3 Absorption coefficient mm -1 F(000) 912 Crystal size x x mm 3 Theta range for data collection to Index ranges -9<=h<=9, -12<=k<=12, -31<=l<=31 Reflections collected Independent reflections 7424 [R(int) = ] Completeness to theta = % S16
17 Refinement method Full-matrix least-squares on F 2 Data / restraints / parameters 7424 / 0 / 453 Goodness-of-fit on F Final R indices [I>2sigma(I)] R1 = , wr2 = R indices (all data) R1 = , wr2 = Extinction coefficient n/a Largest diff. peak and hole and e.å -3 S17
18 Complex 5: Crystal data and structure refinement Table S3. Crystal data and structure refinement for 5 Empirical formula C 29 H 23 MoO 5 PS Formula weight Temperature 150(2) K Wavelength Å Crystal system Monoclinic Space group P2 1 /n Unit cell dimensions a = (6) Å = 90 b = (16) Å = (2) c = (6) Å = 90 Volume (3) Å 3 Z 4 Density (calculated) Mg/m 3 Absorption coefficient mm -1 F(000) 1240 Crystal size x x mm 3 Theta range for data collection to Index ranges -12<=h<=12, -33<=k<=33, -12<=l<=12 Reflections collected Independent reflections 4995 [R(int) = ] Completeness to theta = % Refinement method Full-matrix least-squares on F 2 Data / restraints / parameters 4995 / 1 / 341 Goodness-of-fit on F Final R indices [I>2sigma(I)] R1 = , wr2 = R indices (all data) R1 = , wr2 = Extinction coefficient n/a Largest diff. peak and hole and e.å -3 S18
19 Complex 7: Crystal data and structure refinement Table S4. Crystal data and structure refinement for 7 Empirical formula C 30 H 26 MoNO 5 P Formula weight Temperature 150(2) K Wavelength Å Crystal system Monoclinic Space group P2 1 /n Unit cell dimensions a = (15) Å = 90 b = 27.56(5) Å = (4) c = 10.34(2) Å = 90 Volume 2690(8) Å 3 Z 4 Density (calculated) Mg/m 3 Absorption coefficient mm -1 F(000) 1240 Crystal size x x mm 3 Theta range for data collection to Index ranges -13<=h<=13, -35<=k<=35, -13<=l<=13 Reflections collected Independent reflections 6012 [R(int) = ] Completeness to theta = % Refinement method Full-matrix least-squares on F 2 Data / restraints / parameters 6012 / 0 / 343 Goodness-of-fit on F Final R indices [I>2sigma(I)] R1 = , wr2 = R indices (all data) R1 = , wr2 = Extinction coefficient n/a Largest diff. peak and hole and e.å -3 S19
20 Complex 8: Crystal data and structure refinement Table S5. Crystal data and structure refinement for 8 Empirical formula C 33 H 25 MoO 5 PS 2 Formula weight Temperature 150(2) K Wavelength Å Crystal system Triclinic Space group P Unit cell dimensions a = 9.434(6) Å = 96.54(3) b = (9) Å = (2) c = (13) Å = (2) Volume (19) Å 3 Z 2 Density (calculated) Mg/m 3 Absorption coefficient mm -1 F(000) 704 Crystal size x x mm 3 Theta range for data collection to Index ranges -12<=h<=12, -14<=k<=14, -20<=l<=20 Reflections collected Independent reflections 6692 [R(int) = ] Completeness to theta = % Refinement method Full-matrix least-squares on F 2 Data / restraints / parameters 6692 / 0 / 379 Goodness-of-fit on F Final R indices [I>2sigma(I)] R1 = , wr2 = R indices (all data) R1 = , wr2 = Largest diff. peak and hole and e.å -3 S20
21 Complex 9: Crystal data and structure refinement Table S6. Crystal data and structure refinement for 9 Empirical formula C 29 H 23 AsMoO 5 S Formula weight Temperature 150(2) K Wavelength Å Crystal system Monoclinic Space group P2 1 /n Unit cell dimensions a = (5) Å = 90 b = (17) Å = (17) c = (8) Å = 90 Volume 2806(3) Å 3 Z 4 Density (calculated) Mg/m 3 Absorption coefficient mm -1 F(000) 1312 Crystal size x x mm 3 Theta range for data collection to Index ranges -12<=h<=12, -34<=k<=34, -12<=l<=12 Reflections collected Independent reflections 5305 [R(int) = ] Completeness to theta = % Absorption correction Semi-empirical from equivalents Max. and min. transmission and Refinement method Full-matrix least-squares on F 2 Data / restraints / parameters 5305 / 0 / 353 Goodness-of-fit on F Final R indices [I>2sigma(I)] R1 = , wr2 = R indices (all data) R1 = , wr2 = Extinction coefficient n/a Largest diff. peak and hole and e.å -3 S21
22 Complex 10: Crystal data and structure refinement Table S7. Crystal data and structure refinement for 10 Empirical formula C 29 H 23 AsMoO 6 Formula weight Temperature 150(2) K Wavelength Å Crystal system Monoclinic Space group P2 1 /c Unit cell dimensions a = (3) Å = 90 b = (4) Å = (2) c = (7) Å = 90 Volume (15) Å 3 Z 4 Density (calculated) Mg/m 3 Absorption coefficient mm -1 F(000) 1280 Crystal size x x mm 3 Theta range for data collection to Index ranges -15<=h<=15, -18<=k<=18, -29<=l<=29 Reflections collected Independent reflections 8364 [R(int) = ] Completeness to theta = % Refinement method Full-matrix least-squares on F 2 Data / restraints / parameters 8364 / 0 / 340 Goodness-of-fit on F Final R indices [I>2sigma(I)] R1 = , wr2 = R indices (all data) R1 = , wr2 = Extinction coefficient n/a Largest diff. peak and hole and e.å -3 S22
23 Complex 12: Crystal data and structure refinement Table S8. Crystal data and structure refinement for 12 Empirical formula C 33 H 25 AsMoO 5 S 2 Formula weight Temperature 151(2) K Wavelength Å Crystal system Triclinic Space group P Unit cell dimensions a = (14) Å = (5) b = (16) Å = (4) c = (18) Å = (4) Volume (4) Å 3 Z 2 Density (calculated) Mg/m 3 Absorption coefficient mm -1 F(000) 740 Crystal size x x mm 3 Theta range for data collection to Index ranges -11<=h<=11, -14<=k<=14, -19<=l<=19 Reflections collected Independent reflections 6335 [R(int) = ] Completeness to theta = % Refinement method Full-matrix least-squares on F 2 Data / restraints / parameters 6335 / 0 / 379 Goodness-of-fit on F Final R indices [I>2sigma(I)] R1 = , wr2 = R indices (all data) R1 = , wr2 = Extinction coefficient n/a Largest diff. peak and hole and e.å -3 S23
24 Figures S 1 6 (Perspective drawings of 4b, 4c, 4d, 5b, 9b and 10b Figure S1. Perspective drawing of 4b, showing the atom numbering scheme. Atomic displacement parameters (ADP s) are shown at the 50% probability level. Figure S2. Perspective drawing of 4c, showing the atom numbering scheme. Atomic displacement parameters (ADP s) are shown at the 50% probability level. S24
25 Figure S3. Perspective drawing of 4d, showing the atom numbering scheme. Atomic displacement parameters (ADP s) are shown at the 50% probability level. Figure S4. Perspective drawing of 5b, showing the atom numbering scheme. Atomic displacement parameters (ADP s) are shown at the 50% probability level. S25
26 Figure S5. Perspective drawing of 9b, showing the atom numbering scheme. Atomic displacement parameters (ADP s) are shown at the 50% probability level. Figure S6. Perspective drawing of 10b, showing the atom numbering scheme. Atomic displacement parameters (ADP s) are shown at the 50% probability level. S26
Impact of Ferrocene Substitution on the Electronic Properties of BODIPY Derivatives and Analogues
Impact of Ferrocene Substitution on the Electronic Properties of BODIPY Derivatives and Analogues Kang Yuan, Goonay Yousefalizadeh, Felix Saraci, Tai Peng, Igor Kozin, Kevin G. Stamplecoskie, Suning Wang*
Supporting 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
Electronic Supplementary Information (ESI)
Electronic Supplementary Material (ESI) for Physical Chemistry Chemical Physics. This journal is the Owner Societies 2018 Electronic Supplementary Information (ESI) Enhanced Fluorescence of Phthalimide
Red-light activated photocorms of Mn(I) species bearing electron deficient 2,2'-azopyridines.
Electronic Supplementary Material (ESI) for Dalton Transactions. This journal is The Royal Society of Chemistry 2016 Supporting information for Red-light activated photocorms of Mn(I) species bearing electron
Electronic Supplementary Information
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 2018 Electronic Supplementary Information
1, The crystal data of TAHD and TAND S2-S3. 2, The thermal analysis of HTAHD, TAHD, HTAND and. 3, The AFM images of TAHD and TAND S6
Electronic Supplementary Material (ESI) for Journal of Materials Chemistry C. This journal is The Royal Society of Chemistry 2015 Supplementary information N-heteroheptacenequinone and N-heterononacenequinone:
Deep-red and near-infrared xanthene dyes for rapid live cell imaging
Deep-red and near-infrared xanthene dyes for rapid live cell imaging Guangle Niu,, Weimin Liu,*, Bingjiang Zhou,, Hongyan Xiao, Hongyan Zhang, Jiasheng Wu, Jiechao Ge, and Pengfei Wang Key Laboratory of
Iterative Synthetic Strategy for Azaphenalene Alkaloids. Total Synthesis of ( )-9a-epi-Hippocasine
Supporting Information for: Iterative Synthetic Strategy for Azaphenalene Alkaloids. Total Synthesis of ( )-9a-epi-Hippocasine Sílvia Alujas-Burgos, Cristina Oliveras-González, Ángel Álvarez-Larena, Pau
Supporting information
Supporting information Sensitizing Tb(III) and Eu(III) Emission with Triarylboron Functionalized 1,3-diketonato Ligands Larissa F. Smith, Barry A. Blight, Hee-Jun Park, and Suning Wang* Department of Chemistry,
Supplementary Information. Single Crystal X-Ray Diffraction
Supplementary Information Single Crystal X-Ray Diffraction Single crystal diffraction data were collected on an Oxford Diffraction Gemini R Ultra diffractometer equipped with a Ruby CCD-detector with Mo-K
Electronic supplementary information. Strategy to Enhance Solid-State Fluorescence and. Aggregation-Induced Emission Enhancement Effect in Pyrimidine
Electronic Supplementary Material (ESI) for Dalton Transactions. This journal is The Royal Society of Chemistry 2015 Electronic supplementary information Strategy to Enhance Solid-State Fluorescence and
Pyridyl vs bipyridyl anchoring groups of. porphyrin sensitizers for dye sensitized solar. cells
Electronic Supplementary Material (ESI) for RSC Advances. This journal is The Royal Society of Chemistry 2016 Supporting Information for Pyridyl vs bipyridyl anchoring groups of porphyrin sensitizers for
Seth 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
Marcosende, Vigo, Spain. Fax: ; Tel: ; E mail:
Supplementary Information β-cyclodextrin-resveratrol inclusion complex and the role of geometrical and electronic effects on its electronic induced circular dichroism Eduardo Troche Pesqueira, a Ignacio
Supporting Information
Supporting Information Correlating Bridging Ligand with Properties of Ligand- Templated [Mn II 3X 3 ] 3+ Clusters (X = Br -, Cl -, H -, MeO - ) Kevin J. Anderton, 1 David M. Ermert, 1 Pedro A. Quintero,
Matthias W. Büttner, Jennifer B. Nätscher, Christian Burschka, and Reinhold Tacke *
Development of a New Building Block for the Synthesis of Silicon-Based Drugs and Odorants: Alternative Synthesis of the Retinoid Agonist Disila-bexarotene Matthias W. Büttner, Jennifer B. Nätscher, Christian
Sigma Bond Metathesis with Pentamethylcyclopentadienyl Ligands in Sterically. Thomas J. Mueller, Joseph W. Ziller, and William J.
Sigma Bond Metathesis with Pentamethylcyclopentadienyl Ligands in Sterically Crowded (C 5 Me 5 ) 3 M Complexes Thomas J. Mueller, Joseph W. Ziller, and William J. Evans * Department of Chemistry, University
Iridium Complexes Bearing a PNP Ligand, Favoring Facile C(sp 3 )- H Bond Cleavage
Iridium Complexes Bearing a PNP Ligand, Favoring Facile C(sp 3 )- H Bond Cleavage Kapil S. Lokare,* a Robert J. Nielsen, *b Muhammed Yousufuddin, c William A. Goddard III, b and Roy A. Periana*,a a Scripps
Supporting Information. Preparative Scale Synthesis of Vedejs Chiral DMAP Catalysts
S1 Preparative Scale Synthesis of Vedejs Chiral DMAP Catalysts Artis Kinens, Simonas Balkaitis and Edgars Suna * Latvian Institute of Organic Synthesis, Aizkraukles 21, LV-1006, Riga, Latvia University
Backbonding and non-covalent interactions in JohnPhos and polyfluorothiolate complexes of gold(i)
Electronic Supplementary Material (ESI) for Dalton Transactions. This journal is The Royal Society of Chemistry 2017 SUPPORTING INFORMATION Backbonding and non-covalent interactions in JohnPhos and polyfluorothiolate
Fluorinated Peptide Nucleic Acids with Fluoroacetyl sidechain bearing 5- (F/CF 3 )-Uracil: Synthesis and Cell Uptake Studies. Supporting Information
Fluorinated Peptide Nucleic Acids with Fluoroacetyl sidechain bearing 5- (F/CF 3 )-Uracil: Synthesis and Cell Uptake Studies Satheesh Ellipilli, Sandeep Palvai and Krishna N Ganesh* Chemical Biology Unit,
Supporting Infromation
Supporting Infromation Aromatic Triazole Foldamers Induced by C H X (X = F, Cl) Intramolecular Hydrogen Bonding Jie Shang,, Nolan M. Gallagher, Fusheng Bie,, Qiaolian Li,, Yanke Che, Ying Wang,*,, and
Supporting Information
Electronic Supplementary Material (ESI) for Organic & Biomolecular Chemistry. This journal is The Royal Society of Chemistry 208 Supporting Information Cobalt-Catalyzed Regioselective Syntheses of Indeno[2,-c]pyridines
Structure Report for J. Reibenspies
X-ray Diffraction Laboratory Center for Chemical Characterization and Analysis Department of Chemistry Texas A & M University Structure Report for J. Reibenspies Project Name: Sucrose Date: January 29,
Supporting information
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 2017 Template-directed synthesis
Supplementary File. Modification of Boc-protected CAN508 via acylation and Suzuki-Miyaura Coupling
Supplementary File Modification of Boc-protected CA508 via acylation and Suzuki-Miyaura Coupling Martin Pisár, Eva Schütznerová 2, Filip Hančík, Igor Popa 3, Zdeněk Trávníček 3 and Petr Cankař, * Department
Supporting Information
Submitted to Cryst. Growth Des. Version 1 of August 22, 2007 Supporting Information Engineering Hydrogen-Bonded Molecular Crystals Built from 1,3,5-Substituted Derivatives of Benzene: 6,6',6''-(1,3,5-Phenylene)tris-1,3,5-triazine-2,4-diamines
Supporting Information
Supporting Information One-Pot Access to Benzo[a]carbazoles via Palladium(II)-Catalyzed Hetero- and Carboannulations Moumita Jash, Bimolendu Das, and Chinmay Chowdhury* Organic & dicinal Chemistry Division,
Juan Manuel Herrera, Enrique Colacio, Corine Mathonière, Duane Choquesillo-Lazarte, and Michael D. Ward. Supporting information
Cyanide-bridged tetradecanuclear Ru II 3M II 11 clusters (M II = Zn II and Cu II ) based on the high connectivity building block [Ru 3 (HAT)(CN) 12 ] 6+ : structural and photophysical properties Juan Manuel
Supporting Information
Electronic Supplementary Material (ESI) for CrystEngComm. This journal is The Royal Society of Chemistry 2015 Supporting Information Single-Crystal-to-Single-Crystal Transformation of an Anion Exchangeable
Supporting Information Strong Luminescent Copper(I)-halide Coordination Polymers and Dinuclear Complexes with Thioacetamide and N,N-donor ligands
Electronic Supplementary Material (ESI) for CrystEngComm. This journal is The Royal Society of Chemistry 2016 Supporting Information Strong Luminescent Copper(I)-halide Coordination Polymers and Dinuclear
oligomerization to polymerization of 1-hexene catalyzed by an NHC-zirconium complex
Mechanistic insights on the controlled switch from oligomerization to polymerization of 1-hexene catalyzed by an NHC-zirconium complex Emmanuelle Despagnet-Ayoub, *,a,b Michael K. Takase, c Lawrence M.
Small Molecule Crystallography Lab Department of Chemistry and Biochemistry University of Oklahoma 101 Stephenson Parkway Norman, OK
Small Molecule Crystallography Lab Department of Chemistry and Biochemistry University of Oklahoma 101 Stephenson Parkway Norman, OK 73019-5251 Sample: KP-XI-furan-enzymatic alcohol Lab ID: 12042 User:
Supporting Information. Justin M. Salvant, Anne V. Edwards, Daniel Z. Kurek and Ryan E. Looper*
Supporting Information Regioselective base-mediated cyclizations of mono-n-acylpropargylguanadines. Justin M. Salvant, Anne V. Edwards, Daniel Z. Kurek and Ryan E. Looper* * Department of Chemistry, University
Small Molecule Crystallography Lab Department of Chemistry and Biochemistry University of Oklahoma 101 Stephenson Parkway Norman, OK
Small Molecule Crystallography Lab Department of Chemistry and Biochemistry University of Oklahoma 101 Stephenson Parkway Norman, OK 73019-5251 Sample: KP-XI-cinnamyl-chiral alcohol Lab ID: 12040 User:
Supporting Information
Electronic Supplementary Material (ESI) for Organic & Biomolecular Chemistry. This journal is The Royal Society of Chemistry 2017 Supporting Information Regioselective 6-endo-dig Iodocyclization: An accessible
Supporting Information for. Linker-Directed Vertex Desymmetrization for the Production of Coordination Polymers. with High Porosity
Supporting Information for Linker-Directed Vertex Desymmetrization for the Production of Coordination Polymers with High Porosity Jennifer K. Schnobrich, Olivier Lebel,, Katie A. Cychosz, Anne Dailly,
Synthesis, Structure and Reactivity of O-Donor Ir(III) Complexes: C-H Activation Studies with Benzene
Synthesis, Structure and Reactivity of O-Donor Ir(III) Complexes: C-H Activation Studies with Benzene Gaurav Bhalla, Xiang Yang Liu, Jonas Oxgaard, William A. Goddard, III, Roy A. Periana* Loker Hydrocarbon
Stephen F. Nelsen, Asgeir E. Konradsson, Rustem F. Ismagilov, Ilia A. Guzei N N
Supporting information for: Crystallographic characterization of the geometry changes upon electron loss from 2-tertbutyl-3-aryl-2,3-diazabicyclo[2.2.2]octanes Stephen F. Nelsen, Asgeir E. Konradsson,
Electronic Supplementary Information for: Gram-scale Synthesis of a Bench-Stable 5,5 -Unsubstituted Terpyrrole
Electronic Supplementary Information for: Gram-scale Synthesis of a Bench-Stable 5,5 -Unsubstituted Terpyrrole James T. Brewster II, a Hadiqa Zafar, a Matthew McVeigh, a Christopher D. Wight, a Gonzalo
New Journal of Chemistry. Synthesis and mechanism of novel fluorescent coumarindihydropyrimidinone. multicomponent reaction.
Electronic Supplementary Material (ESI) for ew Journal of Chemistry. This journal is The Royal Society of Chemistry and the Centre ational de la Recherche Scientifique 2015 ew Journal of Chemistry Synthesis
Supporting Information
Supporting Information Peramivir Phosphonate Derivatives as Influenza Neuraminidase Inhibitors Peng-Cheng Wang a, Jim-Min Fang a,b, *, Keng-Chang Tsai c, Shi-Yun Wang b, Wen-I Huang b, Yin-Chen Tseng b,
Supporting Information for A Janus-type Bis(maloNHC) and its Zwitterionic Gold and Silver Metal Complexes
Supporting Information for A Janus-type Bis(maloNHC) and its Zwitterionic Gold and Silver Metal Complexes Ashley Carter, Alexander Mason, Michael A. Baker, Donald G. Bettler, Angelo Changas, Colin D. McMillen,
Nickel-Mediated Stepwise Transformation of CO to Acetaldehyde and Ethanol
Nickel-Mediated Stepwise Transformation of CO to Acetaldehyde and Ethanol Ailing Zhang, Sakthi Raje, Jianguo Liu, Xiaoyan Li, Raja Angamuthu, Chen-Ho Tung, and Wenguang Wang* School of Chemistry and Chemical
Development of a New Synthesis for the Large-Scale Preparation of Triple Reuptake Inhibitor (-)-GSK
Development of a New Synthesis for the Large-Scale Preparation of Triple Reuptake Inhibitor (-)-GSK1360707 Vassil I. Elitzin, Kimberly A. Harvey, Hyunjung Kim, Matthew Salmons, Matthew J. Sharp*, Elie
Supplementary Information for:
Supplementary Information for: Emission behaviors of unsymmetrical 1,3-diaryl-β-diketones: A model perfectly disclosing the effect of molecular conformation on luminescence of organic solids Xiao Cheng,
Supplementary Materials for
www.advances.sciencemag.org/cgi/content/full/1/5/e1500304/dc1 Supplementary Materials for Isolation of bis(copper) key intermediates in Cu-catalyzed azide-alkyne click reaction This PDF file includes:
Active Trifluoromethylating Agents from Well-defined Copper(I)-CF 3 Complexes
Supplementary Information Active Trifluoromethylating Agents from Well-defined Copper(I)-CF 3 Complexes Galyna Dubinina, Hideki Furutachi, and David A. Vicic * Department of Chemistry, University of Hawaii,
Supporting Information
Supporting Information Remote Stereoinductive Intramolecular Nitrile Oxide Cycloaddition: Asymmetric Total Synthesis and Structure Revision of ( )-11 -Hydroxycurvularin Hyeonjeong Choe, Thuy Trang Pham,
Supporting Information. Table of Contents
Supporting Information Cyclo-P 3 Complexes of Vanadium. Redox Properties and Origin of the 31 P NMR Chemical Shift. Balazs Pinter,, Kyle T. Smith, Masahiro Kamitani, Eva M. Zolnhofer,ǁ Ba L. Tran, Skye
Super-Resolution Monitoring of Mitochondrial Dynamics upon. Time-Gated Photo-Triggered Release of Nitric Oxide
Supporting Information for Super-Resolution Monitoring of Mitochondrial Dynamics upon Time-Gated Photo-Triggered Release of Nitric Oxide Haihong He a, Zhiwei Ye b, Yi Xiao b, *, Wei Yang b, *, Xuhong Qian
Crystal growth and characterization of solvated organic charge-transfer complexes built on TTF and 9-dicyanomethylenefluorene derivatives
Electronic Supplementary Material (ESI) for CrystEngComm. This journal is The Royal Society of Chemistry 2015 Crystal growth and characterization of solvated organic charge-transfer complexes built on
A flexible MMOF exhibiting high selectivity for CO 2 over N 2, CH 4 and other small gases. Supporting Information
A flexible MMOF exhibiting high selectivity for CO 2 over N 2, CH 4 and other small gases Jingming Zhang, a Haohan Wu, a Thomas J. Emge, a and Jing Li* a a Department of Chemistry and Chemical Biology,
Supporting Information. Chiral phosphonite, phosphite and phosphoramidite η 6 -areneruthenium(ii)
Supporting Information Chiral phosphonite, phosphite and phosphoramidite η 6 -areneruthenium(ii) complexes: application to the kinetic resolution of allylic alcohols. Mariano A. Fernández-Zúmel, Beatriz
Ullmann-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](/thumbs/88/114835315.jpg "Ullmann-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*,,
David L. Davies,*, 1 Charles E. Ellul, 1 Stuart A. Macgregor,*, 2 Claire L. McMullin 2 and Kuldip Singh. 1. Table of contents. General information
Experimental Supporting Information for Experimental and DFT Studies Explain Solvent Control of C-H Activation and Product Selectivity in the Rh(III)-Catalyzed Formation of eutral and Cationic Heterocycles
Supporting Information. Table of Contents
Supporting Information Selective Anion Exchange and Tunable Luminescent Behaviors of Metal-Organic Framework Based Supramolecular Isomers Biplab Manna, Shweta Singh, Avishek Karmakar, Aamod V.Desai and
Supplementary Information
Supplementary Information J. Braz. Chem. Soc., Vol. 24, No. 10, S1-S17, 2013. Printed in Brazil - 2013 Sociedade Brasileira de Química 0103-5053 $6.00+0.00 SI Structural Analysis and Antitumor Activity
Sulfuric Acid-Catalyzed Conversion of Alkynes to Ketones in an Ionic Liquid Medium under Mild Reaction Conditions
Sulfuric Acid-Catalyzed Conversion of Alkynes to Ketones in an Ionic Liquid Medium under Mild Reaction Conditions Wing-Leung Wong, Kam-Piu Ho, Lawrence Yoon Suk Lee, Kin-Ming Lam, Zhong-Yuan Zhou, Tak
Reversible 1,2-Alkyl Migration to Carbene and Ammonia Activation in an NHC-Zirconium Complex.
Reversible 1,2-Alkyl Migration to Carbene and Ammonia Activation in an NHC-Zirconium Complex. Emmanuelle Despagnet-Ayoub, Michael K. Takase, Jay A. Labinger and John E. Bercaw Contents 1. Experimental
Supplementary Information
Site-Selective Cyclometalation of a Metal-Organic Framework Phuong V. Dau, Min Kim, and Seth M. Cohen* Department of Chemistry and Biochemistry, University of California, San Diego, 9500 Gilman Drive,
Cu(I)-MOF: naked-eye colorimetric sensor for humidity and. formaldehyde in single-crystal-to-single-crystal fashion
Supporting Information for Cu(I)-MOF: naked-eye colorimetric sensor for humidity and formaldehyde in single-crystal-to-single-crystal fashion Yang Yu, Xiao-Meng Zhang, Jian-Ping Ma, Qi-Kui Liu, Peng Wang,
New chiral ebselen analogues with antioxidant and cytotoxic potential. *
ew chiral ebselen analogues with antioxidant and cytotoxic potential A. J. Pacuła a, K. B. Kaczor b, J. Antosiewicz b,e, A. Janecka c, A. Długosz c, T. Janecki d, A. Wojtczak a and J. Ścianowski a* a Department
High-performance Single-crystal Field Effect Transistors of Pyreno[4,5-a]coronene
![High-performance Single-crystal Field Effect Transistors of Pyreno[4,5-a]coronene](/thumbs/93/111717539.jpg "High-performance Single-crystal Field Effect Transistors of Pyreno[4,5-a]coronene")
Electronic Supplementary Information High-performance Single-crystal Field Effect Transistors of Pyreno[4,5-a]coronene Experimental details Synthesis of pyreno[4,5-a]coronene: In 1960 E. Clar et.al 1 and
Supporting Information
Electronic Supplementary Material (ESI) for Dalton Transactions. This journal is The Royal Society of Chemistry 2016 Supporting Information Over or under: Hydride attack at the metal versus the coordinated
Crystal and molecular structure of cis-dichlorobis(triphenylphosphite)
Molecules 2001, 6, 777-783 molecules ISSN 1420-3049 http://www.mdpi.org Crystal and molecular structure of cis-dichlorobis(triphenylphosphite) Platinum(II) Seyyed Javad Sabounchei * and Ali Naghipour Chemistry.
Supplementary Information
Supplementary Information Tuning the Luminescence of Metal-Organic Frameworks for Detection of Energetic Heterocyclic Compounds Yuexin Guo, Xiao Feng,*, Tianyu Han, Shan Wang, Zhengguo Lin, Yuping Dong,
Reaction 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)
Cluster-π electronic interaction in a superatomic Au 13 cluster bearing σ-bonded acetylide ligands
Electronic Supplementary Material (ESI) for Chemical Communications. This journal is The Royal Society of Chemistry 2015 SUPPORTING INFORMATION Cluster-π electronic interaction in a superatomic Au 13 cluster
Supporting Information
Supporting Information Wiley-VCH 2007 69451 Weinheim, Germany Crystal-to-Crystal Transformation between Three Cu(I) Coordination Polymers and Structural Evidence for Luminescence Thermochromism Tae Ho
Supplementary Information
Supplementary Information Eco-Friendly Synthesis of 2,3-Dihydroquinazolin-4(1H)-ones Catalyzed by FeCl 3 /Al 2 O 3 and Analysis of Large 1 H NMR Diastereotopic Effect Isabel Monreal, a Mariano Sánchez-Castellanos,
Anti-Inflammatory Isoquinoline with Bis-seco-aporphine Skeleton from Dactylicapnos scandens
Anti-Inflammatory Isoquinoline with Bis-seco-aporphine Skeleton from Dactylicapnos scandens Bei Wang,,, Zi-Feng Yang,, Yun-Li Zhao, Ya-Ping Liu, Jun Deng, Wan-Yi Huang, Xiao-Nian Li, Xin-Hua Wang *, and
Redetermination of Crystal Structure of Bis(2,4-pentanedionato)copper(II)
Asian Journal of Chemistry Vol. 20, No. 8 (2008), 5834-5838 Redetermination of Crystal Structure of Bis(2,4-pentanedionato)copper(II) HAMID GLCHUBIAN Department of Chemistry, Mazandaran University, P..
CHAPTER 2 CRYSTALLOGRAPHIC ANALYSIS
CHAPTER 2 CRYSTALLOGRAPHIC ANALYSIS 2.1 INTRODUCTION The only benzoic acid derivative complexes which yielded diffraction quality crystals suitable for single crystal studies were the 2-fluoro, 3-fluoro,
Electronic Supplementary Information (ESI)
Electronic Supplementary Material (ESI) for ChemComm. This journal is The Royal Society of Chemistry 2018 Electronic Supplementary Information (ESI) A Large Spin, Magnetically Anisotropic, Octanuclear
Supporting Information
Selective Hg 2+ sensing behaviors of rhodamine derivatives with extended conjugation based on two successive ring-opening processes Chunyan Wang a,b and Keith Man-Chung Wong a,b * a Department of Chemistry,
Manganese-Calcium Clusters Supported by Calixarenes
Electronic Supplementary Material (ESI) for Dalton Transactions. This journal is The Royal Society of Chemistry 2014 Manganese-Calcium Clusters Supported by Calixarenes Rebecca O. Fuller, George A. Koutsantonis*,
Fluorous Metal Organic Frameworks with Superior Adsorption and Hydrophobic Properties toward Oil Spill Cleanup and Hydrocarbon Storage
SUPPORTING INFORMATION Fluorous Metal Organic Frameworks with Superior Adsorption and Hydrophobic Properties toward Oil Spill Cleanup and Hydrocarbon Storage Chi Yang, a Ushasree Kaipa, a Qian Zhang Mather,
Optically Triggered Stepwise Double Proton Transfer in an Intramolecular Proton Relay: A Case Study of 1,8-Dihydroxy-2-naphthaldehyde (DHNA)
Supporting Information Optically Triggered Stepwise Double Proton Transfer in an Intramolecular Proton Relay: A Case Study of 1,8-Dihydroxy-2-naphthaldehyde (DHNA) Chia-Yu Peng,, Jiun-Yi Shen,, Yi-Ting
A Total Synthesis of Paeoveitol
A Total Synthesis of Paeoveitol Lun Xu, Fengyi Liu, Li-Wen Xu, Ziwei Gao, Yu-Ming Zhao* Key Laboratory of Applied Surface and Colloid Chemistry of MOE & School of Chemistry and Chemical Engineering, Shaanxi
Supplementary Materials for
advances.sciencemag.org/cgi/content/full/4/10/eaau1956/dc1 Supplementary Materials for Poly(amide-imide) materials for transparent and flexible displays Sun Dal Kim, Byungyong Lee, Taejoon Byun, Im Sik
Supporting Information. Copyright Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim, 2007
Supporting Information Copyright Wiley-VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, 2007 Copyright Wiley-VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, 2007 Supporting Information for Silicon Analogues of
Supporting Information
Supporting Information Two Enantiomeric Pairs of Meroterpenoids from Rhododendron capitatum Hai-Bing Liao, Chun Lei, Li-Xin Gao, Jing-Ya Li, Jia Li, and Ai-Jun Hou*, Department of Pharmacognosy, School
Synthesis, Characterization and Reactivities of Molybdenum and Tungsten PONOP Pincer Complexes
Synthesis, Characterization and Reactivities of Molybdenum and Tungsten PONOP Pincer Complexes Ruth Castro-Rodrigo, Sumit Chakraborty, Lloyd Munjanja, William W. Brennessel, and William D. Jones* Department
Supporting Information
Supporting Information Methanetrisamidines in Coordination Chemistry - Syntheses, Structures and CH-NH Tautomerism Benjamin Gutschank, Stephan Schulz,* Dieter Bläser and Christoph Wölper Crystallographic
Impeller-like dodecameric water clusters in metal organic nanotubes
Electronic Supplementary Material (ESI) for CrystEngComm. This journal is The Royal Society of Chemistry 2014 Electronic Supplementary Information Impeller-like dodecameric water clusters in metal organic
SUPPLEMENTARY MATERIAL
10.1071/CH16716_AC CSIRO 2017 Australian Journal of Chemistry 2017, 70(5), 601-607 SUPPLEMENTARY MATERIAL New Heterodinuclear Zn/Ln (Ln = Gd, Tb, Er, Yb) Complexes of Hexadentate N,N -Bis(3-alkoxy-2-hydroxybenzyl)cyclohexane-
4.1 1-acryloyl-3-methyl-2,6-bis(3,4,5-trimethoxy phenyl)piperidine-4-one (1)
4 Piperidine derivatives 4.1 1-acryloyl-3-methyl-2,6-bis(3,4,5-trimethoxy phenyl)piperidine-4-one (1) 4.1.1 Synthesis To a well stirred solution of 3-methyl-2,6-bis(3,4,5-trimethoxyphenyl)piperi dine-4-one
Supporting Information
Supporting Information Divergent Reactivity of gem-difluoro-enolates towards Nitrogen Electrophiles: Unorthodox Nitroso Aldol Reaction for Rapid Synthesis of -Ketoamides Mallu Kesava Reddy, Isai Ramakrishna,
CALIFORNIA INSTITUTE OF TECHNOLOGY BECKMAN INSTITUTE X-RAY CRYSTALLOGRAPHY LABORATORY
APPENDIX F Crystallographic Data for TBA Tb(DO2A)(F-DPA) CALIFORNIA INSTITUTE OF TECHNOLOGY BECKMAN INSTITUTE X-RAY CRYSTALLOGRAPHY LABORATORY Date 11 January 2010 Crystal Structure Analysis of: MLC23
Electronic Supplementary Information for MS:
Electronic Supplementary Material (ESI) for RSC Advances. This journal is The Royal Society of Chemistry 2014 Electronic Supplementary Information for MS: Solid State Structural Transformation of Bromide
CHAPTER 6 CRYSTAL STRUCTURE OF A DEHYDROACETIC ACID SUBSTITUTED SCHIFF BASE DERIVATIVE
139 CHAPTER 6 CRYSTAL STRUCTURE OF A DEHYDROACETIC ACID SUBSTITUTED SCHIFF BASE DERIVATIVE 6.1 INTRODUCTION This chapter describes the crystal and molecular structure of a dehydroacetic acid substituted
Crystal structure analysis of N,2-diphenylacetamide
International Journal of ChemTech Research CODEN (USA): IJCRGG ISSN: 0974-4290 Vol.9, No.04 pp 301-305, 2016 Crystal structure analysis of N,2-diphenylacetamide K. Elumalai 1, Subramaniyan Sathiyaraj 2,
Supporting Information
Supporting Information Cu(II) conjugation along the transformation of Vitamin K 3 derivative to dinaphthoquinone methide radical Kirti D. Badave, a Shalaka S. Patil, b Ayesha A. Khan, b Darbha Srinivas,
APPENDIX E. Crystallographic Data for TBA Eu(DO2A)(DPA) Temperature Dependence
APPENDIX E Crystallographic Data for TBA Eu(DO2A)(DPA) Temperature Dependence Temperature Designation CCDC Page 100 K MLC18 761599 E2 200 K MLC17 762705 E17 300 K MLC19 763335 E31 E2 CALIFORNIA INSTITUTE
Electronic Supplementary Information
Electronic Supplementary Information [7]-Helicene: A Chiral Molecular Tweezer for Silver(I) Salts. Matthew J. Fuchter, a* Julia Schaefer, b Dilraj K. Judge, a Benjamin Wardzinski, a Marko Weimar, a Ingo
The Abstraction of Iodine from Aromatic Iodides by Alkyl Radicals. Steric and Electronic Effects 1
Supporting Information: The Abstraction of Iodine from Aromatic Iodides by Alkyl Radicals. Steric and Electronic Effects 1 Darko Dolenc* and Božo Plesničar University of Ljubljana, Faculty of Chemistry
List 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
Enantioselective Conjugate Addition of 3-Fluoro-Oxindoles to. Vinyl Sulfone: An Organocatalytic Access to Chiral. 3-Fluoro-3-Substituted Oxindoles
Enantioselective Conjugate Addition of 3-Fluoro-Oxindoles to Vinyl Sulfone: An Organocatalytic Access to Chiral 3-Fluoro-3-Substituted Oxindoles Xiaowei Dou and Yixin Lu * Department of Chemistry & Medicinal
Supporting Information
Supporting Information Synthesis of H-Indazoles from Imidates and Nitrosobenzenes via Synergistic Rhodium/Copper Catalysis Qiang Wang and Xingwei Li* Dalian Institute of Chemical Physics, Chinese Academy