Supporting Information
|
|
|
- Mervyn Ross
- 5 years ago
- Views:
Transcription
1 Supporting Information Page 2-4. The B3LYP optimized gas phase structures of [Bmim + Cl - ] Pd complex. Page The B3LYP optimized gas phase structures of [Bmim + Cl - ] Pd 2 complex. Page The B3LYP optimized gas phase structures of [Bmim + BF 4 - ] Pd complex. Page The B3LYP optimized gas phase structures of [Bmim + BF 4 - ] Pd 2 complex. Page The B3LYP optimized gas phase structures of [Bmim + PF 6 - ] Pd complex. Page The B3LYP optimized gas phase structures of [Bmim + PF 6 - ] Pd 2 complex. Page 30. The B3LYP optimized structures of [Bmim + BF 4 - ] and [Bmim + PF 6 - ] ion pair in the corresponding simulated solvents. Page The B3LYP optimized structures of [Bmim + BF 4 - ] Pd and [Bmim + BF 4 - ] Pd 2 complex in simulated [Bmim + BF 4 - ] solvent. Page The B3LYP optimized structures of [Bmim + PF 6 - ] Pd and [Bmim + PF 6 - ] Pd 2 complex in simulated [Bmim + PF 6 - ] solvent. Page Information of solvent effect calculation in Gaussian 03. 1
2 a1 HF= Zero-point correction= C N C C N C C C C C Cl H H H H H H H H H H H H H H H Pd a2 HF= Zero-point correction= C N C C N C C C C C Cl H H H H H H H H H H H H H H H Pd
3 HF= C N C C N C C C C C Cl H H H H H H H H H H H H H H H Pd a3 a4 HF= C N C C N C C C C C Cl H H H H H H H H H H H H H H H Pd
4 a5 HF= C N C C N C C C C C Cl H H H H H H H H H H H H H H H Pd a6 HF= C N C C N C C C C C Cl H H H H H H H H H H H H H H H Pd
5 b1 b2 HF= Zero-point correction= C N C C N C C C C C Cl H H H H H H H H H H H H H H H Pd Pd HF= Zero-point correction= C C N C N H H C H H H H C H C H C H H C H H H H H Pd Pd Cl
6 b3 HF= Zero-point correction= C C N C N H H C H H H H C H C H C H H C H H H H H Pd Pd Cl b4 HF= C N C C N C C C C C Cl H H H H H H H H H H H H H H H Pd Pd
7 HF= C C N C N H H C H H H H C H C H C H H C H H H H H Pd Pd Cl b5 HF= S=3 C C N C N H H C H H H H C H C H C H H C H H H H H Pd Pd Cl b6 7
8 HF= b7 HF= S=3 b8 C C C N N C C C N N H C H C C C H C H C H Cl H H C H H H C H H H C H H H H H C H H H H H H H H H H H Pd H Pd Pd Cl Pd
9 b9 HF= S=3 C N C C N C C C C C Cl H H H H H H H H H H H H H H H Pd Pd b10 HF= C N C C N C C C C C Cl H H H H H H H H H H H H H H H Pd Pd
10 b11 HF= S=3 C N C C N C C C C C Cl H H H H H H H H H H H H H H H Pd Pd b12 HF= C N C C N C C C C C Cl H H H H H H H H H H H H H H H Pd Pd
11 c1 HF= Zero-point correction= C N C C N C C C C C F B F F F H H H H H H H H H H H H H H H Pd c2 HF= Zero-point correction= C N C C N C C C C C F B F F F H H H H H H H H H H H H H H H Pd
12 c3 HF= C C N C N H H C H H H H C H C H C H H C H H H H H Pd B F F F F c4 HF= C N C C N C C C C C F B F F F H H H H H H H H H H H H H H H Pd
13 c5 HF= C N C C N C C C C C F B F F F H H H H H H H H H H H H H H H Pd c6 HF= C N C C N C C C C C F B F F F H H H H H H H H H H H H H H H Pd
14 HF= C N C C N C C C C C F B F F F H H H H H H H H H H H H H H H Pd c7 14
15 d1 HF= Zero-point correction= C N C C N C C C C C F B F F F H H H H H H H H H H H H H H H Pd Pd d2 HF= Zero-point correction= C N C C N C C C C C F B F F F H H H H H H H H H H H H H H H Pd Pd
16 HF= C N C C N C C C C C F B F F F H H H H H H H H H H H H H H H Pd Pd d3 d4 HF= S=3 C N C C N C C C C C F B F F F H H H H H H H H H H H H H H H Pd Pd
17 HF= S=3 C N C C N C C C C C F B F F F H H H H H H H H H H H H H H H Pd Pd d5 d6 HF= S=3 C N C C N C C C C C F B F F F H H H H H H H H H H H H H H H Pd Pd
18 d7 HF= S=3 C N C C N C C C C C F B F F F H H H H H H H H H H H H H H H Pd Pd d8 HF= S=3 C N C C N C C C C C F B F F F H H H H H H H H H H H H H H H Pd Pd
19 HF= C N C C N C C C C C F B F F F H H H H H H H H H H H H H H H Pd Pd d9 d10 HF= C N C C N C C C C C F B F F F H H H H H H H H H H H H H H H Pd Pd
20 e1 HF= Zero-point correction= N C C N C C C C C C H H H H H H H H H H H H H H H P F F F F F F Pd e2 HF= Zero-point correction= N C C N C C C C C C H H H H H H H H H H H H H H H P F F F F F F Pd
21 e3 HF= N C C N C C C C C C H H H H H H H H H H H H H H H P F F F F F F Pd e4 HF= N C C N C C C C C C H H H H H H H H H H H H H H H P F F F F F F Pd
22 e5 HF= N C C N C C C C C C H H H H H H H H H H H H H H H P F F F F F F Pd
23 f1 HF= Zero-point correction= N C C N C C C C C C H H H H H H H H H H H H H H H P F F F F F F Pd Pd f2 HF= Zero-point correction= N C C N C C C C C C H H H H H H H H H H H H H H H P F F F F F F Pd Pd
24 f3 HF= Zero-point correction= N C C N C C C C C C H H H H H H H H H H H H H H H P F F F F F F Pd Pd f4 HF= N C C N C C C C C C H H H H H H H H H H H H H H H P F F F F F F Pd Pd
25 f5 HF= N C C N C C C C C C H H H H H H H H H H H H H H H Pd Pd P F F F F F F f6 HF= N C C N C C C C C C H H H H H H H H H H H H H H H Pd Pd P F F F F F F
26 f7 HF= N C C N C C C C C C H H H H H H H H H H H H H H H Pd Pd P F F F F F F f8 HF= N C C N C C C C C C H H H H H H H H H H H H H H H P F F F F F F Pd Pd
27 f9 HF= N C C N C C C C C C H H H H H H H H H H H H H H H P F F F F F F Pd Pd f10 HF= S=3 N C C N C C C C C C H H H H H H H H H H H H H H H P F F F F F F Pd Pd
28 f11 HF= N C C N C C C C C C H H H H H H H H H H H H H H H Pd Pd P F F F F F F f12 HF= S=3 N C C N C C C C C C H H H H H H H H H H H H H H H P F F F F F F Pd Pd
29 f13 HF= N C C N C C C C C C H H H H H H H H H H H H H H H P F F F F F F Pd Pd
30 Sum of electronic and zero-point Energies= N C C N C C C C C C H H H H H H H H H H H H H H H B F F F F Sum of electronic and zero-point Energies= N C C N C C C C C C H H H H H H H H H H H H H H H P F F F F F F
31 c1 in solution Sum of electronic and zero-point Energies= C N C C N C C C C C F B F F F H H H H H H H H H H H H H H H Pd c2 in solution Sum of electronic and zero-point Energies= C N C C N C C C C C F B F F F H H H H H H H H H H H H H H H Pd
32 d1 in solution Sum of electronic and zero-point Energies= Total free energy in solution: with all non electrostatic terms (a.u.) = C N C C N C C C C C F B F F F H H H H H H H H H H H H H H H Pd Pd d2 in solution Sum of electronic and zero-point Energies= Total free energy in solution: with all non electrostatic terms (a.u.) = C N C C N C C C C C F B F F F H H H H H H H H H H H H H H H Pd Pd
33 e1 in solution Sum of electronic and zero-point Energies= N C C N C C C C C C H H H H H H H H H H H H H H H P F F F F F F Pd e2 in solution Sum of electronic and zero-point Energies= N C C N C C C C C C H H H H H H H H H H H H H H H P F F F F F F Pd
34 f1 in solution Sum of electronic and zero-point Energies= N C C N C C C C C C H H H H H H H H H H H H H H H P F F F F F F Pd Pd f2 in solution Sum of electronic and zero-point Energies= N C C N C C C C C C H H H H H H H H H H H H H H H P F F F F F F Pd Pd
ACID-BASE REACTIONS & THE ph SCALE
Introduction ACID-BASE REACTIONS & THE ph SCALE In acid-base reactions in aqueous solution, the active agents are commonly the hydronium ion H 3 0 + or the hydroxide ion OH. The range of concentrations
Topic-1 Lowry - Bronsted and Lewis theory of acids and bases with examples and applications
Topic-1 Lowry - Bronsted and Lewis theory of acids and bases with examples and applications VERY SHORT ANSWER QUESTIONS 1. What is bronsted acid and base give one example? Strength of bronsted acids and
Name: Period: Date: UNIT 12: Solutions Lesson 2: Electronegativity and Polarity!
Name: Period: Date: UNIT 12: Solutions Lesson 2: Electronegativity and Polarity! By the end of today, you will have an answer to: What is electronegativity and how does it lead to molecules being polar
Department of Chemistry. The Intersection of Computational Chemistry and Experiment
Department of Chemistry The Intersection of Computational Chemistry and Experiment Structure, Vibrational and Electronic Spectra of Organic Molecules Angelo R. Rossi Department of Chemistry The University
EXPERIMENT 3 TESTING AND EXTENDING VSEPR WITH COMPUTATIONAL CHEMISTRY INTRODUCTION
1 EXPERIMENT 3 TESTING AND EXTENDING VSEPR WITH COMPUTATIONAL CHEMISTRY INTRODUCTION It has been more than 50 years since the first appearance of the VSEPR model. 1-3 In that time it has become a standard
Chemistry 605 (Reich)
Chemistry 605 (Reich) THIRD HOUR EXAM Wed. May 15, 2013 Question/Points R-12L /20 R-12M /15 R-12N /25 R-12O /10 R-12P /20 Total /90 Name If you place answers anywhere else except in the spaces provided,
Supplementary 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 -.](/thumbs/82/85675389.jpg "Supplementary 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
Patrick Lestrange and James B. Foresman, York College of PA C 9 C 10 C 11 C 12 O 13 H 14
Physical Chemistry I Laboratory: Conformational Analysis of N-Boc-3-pyrrolidinol Patrick Lestrange and James B. Foresman, York College of PA C 2 C 10 C 9 O 5 C 1 C 4 C 11 C 12 N 8 C 6 C 3 O 13 O 7 H 14
Downloaded from
I.I.T.Foundation - XI Chemistry MCQ #4 Time: 45 min Student's Name: Roll No.: Full Marks: 90 Chemical Bonding I. MCQ - Choose Appropriate Alternative 1. The energy required to break a chemical bond to
6 Shapes of molecules and intermolecular forces Answers to practice questions. OCR Chemistry A. Question Answer Marks Guidance
1 (a) (i) HI, HBr, HCl, HF 1 (a) (ii) CF 4, CH 3 I, CH 2 Br 2, CHCl 2 F 1 (b) (i) CO 2 and HCN: linear H 2 O and SCl 2 : non-linear BF 3 and SO 3 : trigonal planar NH 3 and H 3 O + : pyramidal AlCl 4 and
Supplementary Information
Supplementary Information S1. Energy Minimization and ECD Calculations. Figure S1. HRESIMS spectrum of compound 1. Figure S2. IR spectrum of compound 1. Figure S3. 1 H NMR spectrum of compound 1 in CDCl
Working with Hazardous Chemicals
A Publication of Reliable Methods for the Preparation of Organic Compounds Working with Hazardous Chemicals The procedures in Organic Syntheses are intended for use only by persons with proper training
Glass Transitions of Molecular Liquids and Room-Temperature Ionic Liquids
Glass Transitions of Molecular Liquids and Room-Temperature Ionic Liquids Osamu Yamamuro (ISSP, University of Tokyo) Coworkers Molecular liquids: T. Matsuo (Osaka Univ.), K. Takeda (Naruto Edu. Univ.),
Dielectric spectra dominated by charge transport processes, as examplified for Ionic Liquids. F.Kremer
Dielectric spectra dominated by charge transport processes, as examplified for Ionic Liquids F.Kremer Content 1. Reminder concerning Broadband Dielectric Spectroscopy (BDS).. What are Ionic Liquids (IL)?
NMR and IR spectra & vibrational analysis
Lab 5: NMR and IR spectra & vibrational analysis A brief theoretical background 1 Some of the available chemical quantum methods for calculating NMR chemical shifts are based on the Hartree-Fock self-consistent
Supporting Information
Supporting Information Hydrogen-bonding Interactions Between [BMIM][BF 4 ] and Acetonitrile Yan-Zhen Zheng, a Nan-Nan Wang, a,b Jun-Jie Luo, a Yu Zhou a and Zhi-Wu Yu*,a a Key Laboratory of Bioorganic
MOLECULAR ORBITAL DIAGRAM KEY
365 MOLECULAR ORBITAL DIAGRAM KEY Draw molecular orbital diagrams for each of the following molecules or ions. Determine the bond order of each and use this to predict the stability of the bond. Determine
Free volume and Phase Transitions of 1-Butyl-3-Methylimidazolium Based Ionic Liquids: Positron Lifetime
Free volume and Phase Transitions of 1-Butyl-3-Methylimidazolium Based Ionic Liquids: Positron Lifetime Positron Annihilation Laboratory Yu, Yang Oct. 12th. 211 Outline 2 Introduction to free volume Positron
Supplementary Figure 1 H 2 evolving instrument. A closed gas circulation and evacuation system for H2 evolution.
Supplementary Figure 1 H 2 evolving instrument. A closed gas circulation and evacuation system for H2 evolution. 400 H 2 evolution rate ( mol h -1 ) 350 300 250 200 150 100 50 0 1 2 3 4 5 6 7 8 9 10 11
Which of the following is the most polar bond?
!"#$%&'()*++,*#-.$*/* ct 14, 2013 FRM A 1. A neutral atom has the following electron configuration. What is the maximum number of covalent bonds this atom could form with hydrogen atoms? 3. Which of the
(for tutoring, homework help, or help with online classes)
www.tutor-homework.com (for tutoring, homework help, or help with online classes) 1. Which of the following statements is correct for an electron that has the quantum numbers n = 4 and m l = -2? A. the
New Bisphosphomide Ligands, 1,3-Phenylenebis((diphenylphosphino)methanone) [1,3-
New Bisphosphomide Ligands, 1,3-Phenylenebis((diphenylphosphino)methanone) [1,3- Ph 2 PC(O)} 2 C 6 H 4 ] and (2-Bromo-1,3-phenylene)bis((diphenylphosphino)methanone) [1,3- Ph 2 PC(O)} 2 C 6 H 4 Br]: Synthesis,
General Chemistry Multiple Choice Questions Chapter 5
1 Which of the following possesses a polar covalent bond? a NaCl (s) b O 2 (g) c Al (s) d SO 2 (g) 5.1 2 Which is the most electronegative atom? a Cl b Se c Al d Ca 3 Which of the following molecules has
Molecular Geometry. Dr. Williamson s Molecular Geometry Notes. VSEPR: Definition of Terms. Dr. V.M. Williamson Texas A & M University Student Version
Molecular Geometry Dr. V.M. Williamson Texas A & M University Student Version Valence Shell Electron Pair Repulsion- VSEPR 1. Valence e- to some extent 2. Electron pairs move as far away as possible to
Molecular Geometry. Dr. Williamson s Molecular Geometry Notes. VSEPR: Definition of Terms. VSEPR: Electronic Geometries VSEPR
Molecular Geometry Dr. V.M. Williamson Texas A & M University Student Version Valence Shell Electron Pair Repulsion- VSEPR 1. Valence e- to some extent 2. Electron pairs move as far away as possible to
Q-Chem Workshop Tasks
Marek Freindorf Q-Chem Workshop Tasks Washington DC August 2009 Basic Calculations Carbon Dioxide, Example 1A 1. Calculate an optimal geometry of carbon dioxide using the B3LYP/6-31+G* level of theory
DESCRIPTIVE INORGANIC CHEMISTRY April 19, 2012 INSTRUCTIONS: PRINT YOUR NAME > NAME.
DESCRIPTIVE INORGANIC CHEMISTRY QUIZ IV April 19, 2012 INSTRUCTIONS: PRINT YOUR NAME > NAME. SHOW YOUR WORK FOR PARTIAL CREDIT THE LAST PAGES ARE a Table of Bond energies and A Periodic Table Work 1-3
Electronegativity (MHR Text p ) Draw an electron dot formula for HCl.
http://www.youtube.com/user/kosasihiskandarsjah#p/u/45/kj3o0xvhvqq Electronegativity (MHR Text p. 174 175) Draw an electron dot formula for HCl. The formula suggests that the pair of electrons, which constitutes
PRACTICE EXAMINATION QUESTIONS FOR 1.1 ATOMIC STRUCTURE (includes some questions from 1.4 Periodicity)
PRACTICE EXAMINATION QUESTIONS FOR 1.1 ATOMIC STRUCTURE (includes some questions from 1.4 Periodicity) 1. At room temperature, both sodium metal and sodium chloride are crystalline solids which contain
2011, Robert Ayton. All rights reserved.
Chemical Bonding Outline 1. Lewis Dot Structures 2. Bonds 3. Formal Charges 4. VSEPR (Molecular Geometry and Hybridzation) 5. Common Resonance Structures and Dimerization Review 1. Lewis Dot Structures
Inorganic Chemistry A. Cl and 37 Cl are and
S e l f - s t u d y e x e r c i s e s 1 Inorganic Chemistry A Self-study exercises Chapters 1 and 2 1. Calculate the value of A r for naturally occurring chlorine if the distribution of isotopes is 75.77%
American Cakery. ... made by erlenbacher
A C P O D W P P- C / 1050 NEW C-Cff -C S 1700 1 7/6 105 NEW Bb-C S 1900 1 7/6 5 10519 NEW C-B-C S 1950 1 7/6 5 1056 NEW Rb-G-C S 1700 1 7/6 6 1055 NEW R B 1100 16 1/1 7 1051 NEW C B 750 1 1/1 10 101051
WYSE Academic Challenge Sectional Chemistry 2005 SOLUTION SET
WYSE Academic Challenge Sectional Chemistry 2005 SOLUTION SET 1. Correct answer: c. Since the ion has a 2- charge, this means there are two extra electrons as compared to protons, so the ion must be sulfur
Localized Electron Model
Localized Electron Model Models for Chemical Bonding Localized electron model (Valence bond model) Molecular orbital model Localized Electron Model Useful for explaining the structure of molecules especially
Free Energy Change and Activation Barrier for a Menshutkin Reaction Including Effects of the Solvent
Proposed Exercise for the Physical Chemistry Section of the Teaching with Cache Workbook: Free Energy Change and Activation Barrier for a Menshutkin Reaction Including Effects of the Solvent Contributed
Inorganic Chemistry with Doc M. Day 9. Acids and Bases Overview
Inorganic Chemistry with Doc M. Day 9. Acids and Bases Overview Topics: 1. Bronsted-Lowry Concept 5. ph of salts 2. Lewis acid and base concepts 6. Hard-soft acid and base theory 3. Oxyacids 7. Non-aqueous
Session 6: LECTURE OUTLINE (SECTION M2 pp F88 - F90)
Session 6: LECTURE OUTLINE (SECTION M2 pp F88 - F90) I. The Limiting Reagent a. Stoichiometric amounts b. Non-Stoichiometric amounts c. Limiting reagent (L.R) II. III. How Do We Determine Which Is The
I. Write the chemical formula for the following compounds: 1. Sodium sulfite. 8. Barium chromate. 2. diphosphorus pentoxide. 9. nitrogen trichloride
AP Chem WS-Naming Practice Name Date Block I. Write the chemical formula for the following compounds: 1. Sodium sulfite 8. Barium chromate 2. diphosphorus pentoxide 9. nitrogen trichloride 3. calcium iodide
To learn how to use molecular modeling software, a commonly used tool in the chemical and pharmaceutical industry.
NAME: Lab Day/Time: Molecular Modeling BV 1/2009 Purpose The purposes of this experiment are: To learn how to use molecular modeling software, a commonly used tool in the chemical and pharmaceutical industry.
Synthetic, Structural, and Mechanistic Aspects of an Amine Activation Process Mediated at a Zwitterionic Pd(II) Center
Synthetic, Structural, and Mechanistic Aspects of an Amine Activation Process Mediated at a Zwitterionic Pd(II) Center Supporting Information Connie C. Lu and Jonas C. Peters* Division of Chemistry and
The dielectric properties of glassy ion-conducting materials
The dielectric properties of glassy ion-conducting materials F.Kremer Co-authors: J.R. Sangoro, A.Serghei, C. Iacob, S. Naumov, J. Kärger Example for ion-conducting glassy materials: Ionic Liquids (ILs)
CSIR-UGC-NET/JRF GATE CHEMISTRY TEST : ORGANOMETALLIC COMPOUNDS
1 CSIR-UGC-NET/JRF GATE CHEMISTRY TEST : ORGANOMETALLIC MPOUNDS Time 00 : Hour Date : 1-10-2017 M.M. : 0 INSTRUCTION : 1. There are Two Parts. Part-A contains 10 objective type questions, each question
Novel Photochemical/Thermal Dual-Cure initiating system for cationic polymerization of thick materials
Novel Photochemical/Thermal Dual-Cure initiating system for cationic polymerization of thick materials M. LECMPEE (1,2), X. ALLNAS* (1), D. MAECHAL (2), A. CIQUI (2) (1) Laboratory of Macromolecular Photochemistry
MULTIPLE CHOICE. Choose the one alternative that best completes the statement or answers the question.
Exam Name MULTIPLE CHOICE. Choose the one alternative that best completes the statement or answers the question. 1) The effect of a catalyst on a chemical reaction is to. A) increase the entropy change
Rapid and precise thermochemical calculations by quantum chemical methods
Rapid and precise thermochemical calculations by quantum chemical methods Ph.D. thesis By: Adrienn Ruzsinszky Supervisor: Dr. Gábor Csonka Budapest University of Technology and Economics Department of
4/25/2017. VSEPR Theory. Two Electron Groups. Shapes of Molecules. Two Electron Groups with Double Bonds. Three Electron Groups.
Chapter 10 Lecture Chapter 10 Bonding and Properties of Solids and Liquids 10.3 Shapes of Molecules and Ions (VSEPR Theory) Learning Goal Predict the three-dimensional structure of a molecule or a polyatomic
Electronic Supporting Information (ESI) Aqueous Ionic Liquids and Deep Eutectic Solvents. for Cellulosic Biomass Pretreatment and Saccharification
Electronic Supporting Information (ESI) Aqueous Ionic Liquids and Deep Eutectic Solvents for Cellulosic Biomass Pretreatment and Saccharification Shuqian Xia, a Gary A. Baker, b Hao Li, a Sudhir Ravula,
Name: CHEMISTRY 101 SPRING 2005 EXAM 3 FORM A SECTIONS DR. KEENEY-KENNICUTT
Name: CHEMISTRY 101 SPRING 2005 EXAM 3 FORM A SECTIONS 501511 DR. KEENEYKENNICUTT Directions: (1) Put your name and signature on PART 2 of the exam where indicated. (2) Sign the Aggie Code on PART 2 of
Atoms have the ability to do two things in order to become isoelectronic with a Noble Gas.
CHEMICAL BONDING Atoms have the ability to do two things in order to become isoelectronic with a Noble Gas. 1.Electrons can be from one atom to another forming. Positive ions (cations) are formed when
Copper(I) Chelators for Alzheimer s Disease
Supporting Information Copper(I) Chelators for Alzheimer s Disease Stanley K. A. Opare and Arvi Rauk* University of Calgary, 2500 University Drive N.W., Calgary, Alberta, Canada T2N 1N4 * Author to whom
Catalytic Oxidation of CW Agents Using H O in 2 2 Ionic Liquids
Catalytic Oxidation of CW Agents Using H O in 2 2 Ionic Liquids William M. Nelson,, PhD IL Waste Management & Research Center 2003 Joint Service Scientific Conference on Chemical & Biological Defense Research
Dynamics of Polar Solvation (in Dipolar & Ionic Solvents)
Dynamics of Polar Solvation (in Dipolar & Ionic Solvents) P L1 M4 Φ=2 KDP S L2 G2 S S 1 t Spectral Response S (t) 1..8.6.4.2. N dipolar CF 3 ionic M3 wg M2 M1 1-13 1-12 1-11 1-1 1-9 1-8 Time / s Sp15 ACS
Chemical Bonding 4.8. Valence Bond Theory Hybrid Orbital Theory Multiple Bonds High School Chem Solutions. All rights reserved.
Chemical Bonding 4.8 Valence Bond Theory Hybrid Orbital Theory Multiple Bonds Valence Bond Theory Combines Lewis theory of filling octets by sharing pairs of electrons with the electron configuration of
Draw the Lewis Structures. Unit 4 Bonding II Review 12/15/ ) PBr 3 4) NO 2) N 2 H 2 5) C 2 H 4. 3) CH 3 OH 6) HBr. Ionic. Covalent.
Unit 4 Bonding II Review Unit 4 Bonding II Determine the type of bond (, or Metallic) in the following compounds: Compound Bond Type Compound Bond Type NaCl CO FeNi SiS 2 Metallic NCl 3 PF 3 CaCl 2 Fe
Materi Pengayaan Polimer Koordinasi
Materi Pengayaan Polimer Koordinasi Coordination Polymers; Design, Analysis and Application Stuart R. Batten, Suzanne M. Neville and David R. Turner Coordination polymers are infinite repeating structures
STD-XI-Science-Chemistry Chemical Bonding & Molecular structure
STD-XI-Science-Chemistry Chemical Bonding & Molecular structure Chemical Bonding Question 1 What is meant by the term chemical bond? How does Kessel-Lewis approach of bonding differ from the modern views?
Pretest: Unit 4 Covalent Bonding
Name Date 2018-2019 Due Test Day! Pretest Unit 4 Covalent Bonding The following is an overview of the concepts, ideas, and problems we have covered in this unit. You are, however, responsible for all material
Chapter 2 Overview. Chapter 2 Overview
Chapter 2 Overview! all matter, whether liquid, solid, or gas,consists of atoms, which form molecules! the identity of an atom and its chemical behavior is strictly defined by the number of electrons in
Electronic Supplementary Information for
Electronic upplementary Material (EI) for ChemComm. his journal is he Royal ociety of Chemistry 06 Electronic upplementary Material (EI) for Chemical Communications his journal is he Royal ociety of Chemistry
2. Which of the following is NOT an electrophile in an electrophilic aromatic substitution reaction? A) NO 2
Name: CHEM 226 Practice Quiz 3 Chapter 4-Aromatic Compounds and Chapter 7- Alcohols, Phenols and Thiols Attempt all questions showing your answers and work clearly for full and partial credits 1. Which
3. CHEMICAL BONDING AND MOLECULAR STRUCTURE
. CEMICAL BONDING AND MOLECULAR STRUCTURE PREVIOUS EAMCET BITS. The bond length of Cl molecule is.75a and its dipole moment is. D. The ionic character of the molecule (in percent) (charge of electron.8
High-resolution study of Gamow- Teller transitions in pf-shell nuclei. Tatsuya ADACHI
High-resolution study of Gamow- Teller transitions in pf-shell nuclei Tatsuya ADACHI Type II supernova Electron Capture (EC) & β decay Neutrino induced reaction A Z-1X N+1 daughter EC β A ZX N parent (A,Z)
Biocatalysis. Deep Eutectic Solvents. Trial Pack
Biocatalysis Deep Eutectic Solvents Trial Pack Ionic Liquids Ionic Liquids are salts that are liquid below 100 o C.They are primarily large quaternary ammonium cations (R 4 N+) with large anions such as
CHAPTER-IV. FT-IR and FT-Raman investigation on m-xylol using ab-initio HF and DFT calculations
4.1. Introduction CHAPTER-IV FT-IR and FT-Raman investigation on m-xylol using ab-initio HF and DFT calculations m-xylol is a material for thermally stable aramid fibers or alkyd resins [1]. In recent
Boyan Iliev, Marcin Smiglak, Anna Świerczyńska, Thomas Schubert. IOLITEC Ionic Liquids Technologies GmbH Salzstraße 184 D Heilbronn
ILSEPT, Sitges, Spain, September 6th Boyan Iliev, Marcin Smiglak, Anna Świerczyńska, Thomas Schubert IOLITEC Ionic Liquids Technologies GmbH Salzstraße 184 D-74076 Heilbronn Outline 1 Introduction 2 Solubility
Chemistry: The Central Science
Chemistry: The Central Science Fourteenth Edition Chapter 8 Basic Concepts of Chemical Bonding Chemical Bonds Three basic types of bonds Ionic Electrostatic attraction between ions Covalent Sharing of
Oxygen Binding in Hemocyanin
Supporting Information for Quantum Mechanics/Molecular Mechanics Study of Oxygen Binding in Hemocyanin Toru Saito and Walter Thiel* Max-Planck-Institut für Kohlenforschung, Kaiser-Wilhelm-Platz 1, D-45470
Choice of Theoretical Method
Choice of Theoretical Method 1 General Considerations PResources < Software < Computer P Expense (Time and Money) < Optimization/Single Point Calculations < Basis Set Choice < Method Choice P < Comparison
Palladium-Mediated Functionalization of Heteroaromatic Cations: Comparative Study on Quinolizinium Cations
Palladium-Mediated Functionalization of Heteroaromatic Cations: Comparative Study on Quinolizinium Cations Domingo Garcia-Cuadrado, Ana M. Cuadro, Bernado M. Barchin, Ana unez, Tatiana Caneque, Julio Alvarez-
Supporting Information of Carboranes: The Strongest Brønsted Acids in Alcohol Dehydration
Electronic Supplementary Material (ESI) for Catalysis Science & Technology. This journal is The Royal Society of Chemistry 2017 Supporting Information of Carboranes: The Strongest Brønsted Acids in Alcohol
Review for Chapter 4: Structures and Properties of Substances
Review for Chapter 4: Structures and Properties of Substances You are responsible for the following material: 1. Terms: You should be able to write definitions for the following terms. A complete definition
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
CHM1045 Exam 3 Chapters 5, 8, & 9
1. Which of the following conditions will never result in a decrease in the internal energy of a system? CHM1045 Exam 3 Chapters 5, 8, & 9 a. System loses heat and does work on the surroundings. b. System
What Do Molecules Look Like?
What Do Molecules Look Like? The Lewis Dot Structure approach provides some insight into molecular structure in terms of bonding, but what about 3D geometry? Recall that we have two types of electron pairs:
Chapter 2: Acids and Bases
1. Which of the following statements is a correct definition for a Brønsted-Lowry acid? A) Proton acceptor C) Electron pair acceptor B) Electron pair donor D) Proton donor 2. Which of the following statements
Chapter 10. Dipole Moments. Intermolecular Forces (IMF) Polar Bonds and Polar Molecules. Polar or Nonpolar Molecules?
Polar Bonds and Polar Molecules Chapter 10 Liquids, Solids, and Phase Changes Draw Lewis Structures for CCl 4 and CH 3 Cl. What s the same? What s different? 1 Polar Covalent Bonds and Dipole Moments Bonds
Pyramidal Fe(CO) 5. P. Aiswaryalakshmi, Devendra Mani and E. Arunan* Department of Inorganic and Physical Chemistry, Indian Institute of Science,
Fe as Hydrogen/Halogen Bond Acceptor in Square Pyramidal Fe(CO) 5 Supporting Information P. Aiswaryalakshmi, Devendra Mani and E. Arunan* Department of Inorganic and Physical Chemistry, Indian Institute
What do numerical subscripts in a chemical formula mean?
ALE - Dr. Daniel Name Course Class Time Team No. What do numerical subscripts in a chemical formula mean? The Model: Formulas of Binary Ionic Compounds Look at the Periodic Table in your textbook that
Chemistry 1A Spring 1999 Exam #4 KEY Chapters 9 & 10
H 2.2 Chemistry 1A Spring 1999 Exam #4 KEY Chapters 9 & 10 Electronegativities Li Be B C N O F 0.98 1.57 2.04 2.55 3.04 3.44 3.98 Na Mg Al Si P S Cl 0.93 1.31 1.61 1.9 2.19 2.58 3.16 K Ca Ga Ge As Se Br
Lecture 1 Some Time-Frequency Transformations
Lecture 1 Some Time-Frequency Transformations David Walnut Department of Mathematical Sciences George Mason University Fairfax, VA USA Chapman Lectures, Chapman University, Orange, CA 6-10 November 2017
Covalent bonds and shapes of molecules
Covalent bonds and shapes of molecules Determining number of bonds We use Lewis dot structures The number of unpaired electrons will be the number of bonds How many bonds would each typically form? H Be
Lab #3: Choice of Theoretical Method
Lab #3: Choice of Theoretical Method These directions assume the user is familiar with the WebMO interface and can build molecules, set up calculations, etc. Exercise 1 - Determine the Proton Affinity
COMPUTATIONAL STUDY OF H-A-X (A = GROUP TWO ATOMS, X = F, Cl, Br) MOLECULES
Int. J. Chem. Sci.: 8(2), 2010, 914-922 COMPUTATIONAL STUDY OF H-A-X (A = GROUP TWO ATOMS, X = F, Cl, Br) MOLECULES C. YOHANNAN PANICKER *, S. DEEPTHI, HEMA TRESA VARGHESE a and Y. SHEENA MARY a Department
Supporting Information
Supporting Information Wiley-VCH 2006 69451 Weinheim, Germany Sandwich Complexes Containing Bent Palladium ains Yasuki Tatsumi, Katsunori Shirato, Tetsuro Murahashi,* Sensuke Ogoshi and Hideo Kurosawa*
CHEM 1412 Zumdahl & Zumdahl Practice Exam II (Ch. 14, 15 & 16) Multiple Choices: Please select one best answer. Answer shown in bold.
CHEM 1412 Zumdahl & Zumdahl Practice Exam II (Ch. 14, 15 & 16) Multiple Choices: Please select one best answer. Answer shown in bold. 1. Consider the equilibrium: PO -3 4 (aq) + H 2 O (l) HPO 2-4 (aq)
Trace Solvent as a Predominant Factor to Tune Dipeptide. Self-Assembly
Trace Solvent as a Predominant Factor to Tune Dipeptide Self-Assembly Juan Wang,, Kai Liu,,, Linyin Yan,, Anhe Wang, Shuo Bai, and Xuehai Yan *,, National Key Laboratory of Biochemical Engineering, Institute
NH 3 inversion: Potential energy surfaces and transition states CH342L March 28, 2016
N 3 inversion: Potential energy surfaces and transition states C342L March 28, 2016 Last week, we used the IR spectrum of ammonia to determine the splitting of energy levels due to inversion of the umbrella
Supplementary Figure S1 Stable structures of I, I', II, and II' optimized at the
H C Si 2.492 (2.348) 1.867 (2.005) Fe O 2.106 (2.077) 2.360 (2.497) N 1.126 (1.115) 2.105 (2.175) I quintet (triplet) 0.0 (+4.1) kcal/mol II triplet (quintet) 0.0 (+4.3) kcal/mol 1.857 (2.076) 2.536 (2.351)
REACTION AND SYNTHESIS REVIEW
REACTION AND SYNTHESIS REVIEW A STUDENT SHOULD BE ABLE TO PREDICT PRODUCTS, IDENTIFY REACTANTS, GIVE REACTION CONDITIONS, PROPOSE SYNTHESES, AND PROPOSE MECHANISMS (AS LISTED BELOW). REVIEW THE MECHANISM
Bonding/Lewis Dots Lecture Page 1 of 12 Date. Bonding. What is Coulomb's Law? Energy Profile: Covalent Bonds. Electronegativity and Linus Pauling
Bonding/Lewis Dots Lecture Page 1 of 12 Date Bonding What is Coulomb's Law? Energy Profile: Covalent Bonds Electronegativity and Linus Pauling 2.1 H 1.0 Li 0.9 Na 0.8 K 0.8 Rb 0.7 Cs 0.7 Fr 1.5 Be 1.2
Predicting LA-LB reactions
Predicting LA-LB reactions A chemical reaction is governed by G rxn
Unit 4: Presentation C Molecular Shapes and Dipole Moments
New Jersey Center for Teaching and Learning Slide 1 / 30 Progressive Science Initiative This material is made freely available at www.njctl.org and is intended for the non-commercial use of students and
Electronic Supplementary Information. Di(imino)aryltin(IV) dichlorides as tectons for heterometallic coordination compounds
Electronic Supplementary Information Di(imino)aryltin(IV) dichlorides as tectons for heterometallic coordination compounds Ioana Barbul, a Richard A. Varga,* a Kieran C. Molloy b and Cristian Silvestru*
All chemical bonding is based on the following relationships of electrostatics: 2. Each period on the periodic table
UNIT VIII ATOMS AND THE PERIODIC TABLE 25 E. Chemical Bonding 1. An ELECTROSTATIC FORCE is All chemical bonding is based on the following relationships of electrostatics: The greater the distance between
1) DETERMINE THE CONCENTRATION OF AN AQUEOUS SOLUTION (g/l, mass percent, or ppm)
Science and technology 404 Name Date STUDY GUIDE CHAPTER 2 MOLECULES AND SOLUTIONS 1) DETERMINE THE CONCENTRATION OF AN AQUEOUS SOLUTION (g/l, mass percent, or ppm) A solution is a homogenous mixture made
Week 15/Tu: Lecture Units 36, 37
Week 15/Tu: Lecture Units 36, 37 Unit 35: Equilibrium Constants Unit 36: Aqueous solutions Electrolytes, Equilibria Acid/Base Definitions Unit 37: Acid/Base, ph Acid / Base Conjugates Definition of ph
Chemical Bonding Basic Concepts
Chemical Bonding Basic Concepts Valence electrons are the outer shell electrons of an atom. The valence electrons are the electrons that particpate in chemical bonding. Group e - configuration # of valence
Understanding the ecotoxicological risks of ionic liquids - where are we?
Understanding the ecotoxicological risks of ionic liquids - where are we? Green Solvents for Processes Friedrichshafen/Germany October 8-11, 2006. J. Ranke, J. Arning, P. Behrend, A. Böschen, U. Bottin-Weber,
Name: Student ID Number: Section Number:
Name: Student ID Number: Section Number: VERSION A KEY Some useful constants and relationships: Specific heat capacities (in J/g. K): H 2 O (l) = 4.184; Al (s) = 0.900; Cu (s) = 0.387; Steel (s) = 0.45
Chapter 15 Equilibrium
Chapter 15. Chemical Equilibrium 15.1 The Concept of Equilibrium Chemical equilibrium is the point at which the concentrations of all species are constant. A dynamic equilibrium exists when the rates of