Syn Carbonyl Oxides: Primary and Secondary OH Source?

Slides:



Advertisements
Similar presentations
Detailed chemical modelling based on the Master Chemical Mechanism (MCM) Mike Jenkin EMMA Group Department of Environmental Science and Technology
Advertisements

Radical Intermediates in the Addition of OH to Propene: Photolytic Precursors and Angular Momentum Effects ISMS 2014 Matthew Brynteson, Carrie Womack,
1. 1. Carbonyl (C=O, cm -1 (strong), see table for further details) 2. Hydroxyl (OH, cm -1 (broad, strong)) 3. Amino (NH x,
Phenomenological Model for Hydrocarbon High-Temperature Autoignition M. Petrova & F. Williams Domenic Tassoni.
HYDROGEN BONDS IN DNA NHO Distance between the N and O Covalent bond hydrogen bond Bond angle between N, H and O.
Review Two & ICA Two Goals for the Day 1) Review Practice Exam Two 2) Chem 3D activity 3) Multiple Choice “Review” Questions (time permitting)
Title Heats of Combustion, Heats of Formation, Heats of Hydrogenation and Bond Dissociation Energies.
AROMATIC SUBSTITUTION REACTIONS REACTIONS. NOMENCLATURE.
ENERGY FROM THE SEA Is the energy that comes from tides and waves.
TORSIONAL EXCITATION IN O-H STRETCH OVERTONE SPECTRA OF ETHYL HYDROPEROXIDE CONFORMERS Shizuka Hsieh, Ma Thida, Margaret Nyamumbo, Hannah Hitchner, Noah.
Chem 125 Lecture 69 4/17/08 Projected material This material is for the exclusive use of Chem 125 students at Yale and may not be copied or distributed.
Degradation of Hormone Contaminants in Waters by OH Oxidation Katy Swancutt Stephen Mezyk.
7th ICCK (MIT, Cambridge) July 11, Molecular Size Dependent Fall-off Rate Constants for the Recombination Reactions of Alkyl Radicals with O 2 Akira.
$100 $200 $300 $400 $500 $100 $200 $300 $400 $500 $100 $200 $300 $400 $500 $100 $200 $300 $400 $500 $100 $200 $300 $400 $500 $100 $200 $300.
Redox potential in flavin FAD + e - → FAD - Calculating accurate redox potentials in enzymes with a combined QM/MM free energy perturbation approach –
Calcul mental. Calcul n°1 2 x 7 = Calcul n°2 3x 7 =
Rewrite With Fractional Exponents. Rewrite with fractional exponent:
Studying Ozonolysis Reactions of 2-Butenes Using Cavity Ring-down Spectroscopy Liming Wang, Yingdi Liu, Mixtli Campos-Pineda, Chad Priest and Jingsong.
The Butler Group Benj FitzPatrick Britni Ratliff Bridget Alligood Doran Bennett Justine Bell Arjun Raman Emily Glassman Dr. Xiaonan Tang Molecular Beam.
OBSERVATION OF VIBRATIONALLY HOT CH 2 CHO IN THE 351 NM PHOTODISSOCIATION OF XCH 2 CH 2 ONO (X=F,Cl,Br,OH) Rabi Chhantyal-Pun, Ming-Wei Chen, Dianping.
The First and Second Recoupled Pair Bonds in Sulfoxy Species Tyler Takeshita, D. E. Woon, T. H. Dunning, Jr. Department of Chemistry University of Illinois.
Double.... H-atom Transfer, and of Alkoxy Radicals from Isoprene Prompt Chemistry Intramolecular... Hydrogen Bonding, T. S. Dibble Chemistry Department,
2 Outline Background Objective Quantum Chemical Analysis Combinatorial Study and Data Mining Conclusion.
How Ligand Properties Affect the Formation and Characteristics of Recoupled Pair Bonds Beth A. Lindquist, David E. Woon, and Thom H. Dunning 06/23/2011.
Chemistry 2412: Organic Chemistry II Dr. Caroline Sheppard Summer 2015.
CHEM 2411 Review What did you learn in Organic Chemistry I?
Structural Evolution & Solvation of OH radical in (H 2 O) n +, n=5~8 En-Ping Lu, Piin-Ruey Pan, Ying-Cheng Li and Jer-Lai Kuo Institute of Atomic and Molecular.
12 Chemistry 2.5 organic chemistry CR 07 Alcohols Alcohols have the function group –OH General formula: C n H 2n+1 OH or C n H 2n+2 O.
Food Chains How do humans affect the food chain?.
Begin. Chem Intro Chem Intro videos elated
Bond Enthalpy Chem 12. The enthalpy change required to break a particular bond in one mole of gaseous molecules is the bond energy. H 2 (g) H (g) + 
Organic chemistry for medicine and biology students Chem 2311 Chapter 9 Aldehydes and Ketones By Prof. Dr. Adel M. Awadallah Islamic University of Gaza.
Organic chemistry for medicine and biology students Chem 2311 Chapter 9 Aldehydes and Ketones By Prof. Dr. Adel M. Awadallah Islamic University of Gaza.
Rewrite With Fractional Exponents. Rewrite with fractional exponent:
Ivan Antonov, Leonid Sheps 70 th International Symposium on Molecular Spectroscopy CHARACTERIZATION OF REACTION PATHWAYS IN LOW TEMPERATURE OXIDATION OF.
Types of Information P1 – Explain how organisations use information By.
+ Chem 350 Delmis Hernandez. + What are the main topics of Organic Chemistry 2? Chemistry of benzenes Reactions of alcohols Carbonyl chemistry.
Aldehydes/Ketones: Nucleophilic Addition Reactions.
12 x 12 = x 11 = x 10 = x 9 = 108.
BIO 315 Week 3 DQ 3 What is primary and secondary production? What are the limiting factors on primary production in terrestrial and aquatic ecosystems?
This topic looks at: How electricity is produced
Islamic University of Gaza
Aromatic compounds 1.
Reaction Schematic Reduction Hydration Carbonyl Alkene Alcohol
Nucleophilic Addition to the Carbonyl Group
Cellular Respiration Bell Ringer
High ∆Gº Hydrolysis Compounds
INTERACTIONS OF RADIATION WITH MATTER
Section 2c CHEM 222 Coursepack
برنامه ی تندرستی چرخه ی زندگی برنامه های تندرستی
This topic looks at: How electricity is produced
This topic looks at: How electricity is produced
Benzene & Aromatic Compounds
الألدهيدات و الكيتونات
PPT REDOX solution stoichiometry non Acid/Base H+ OH- ( )
Computational Studies of Atmospheric Chemistry Intermediates Keith T
Acyl chlorides.
A graphing calculator is required for some problems or parts of problems 2000.
OZONE PRODUCTION IN TROPOSPHERE
Computational Studies of Atmospheric Chemistry Intermediates Keith T
This topic looks at: How electricity is produced
Bond Enthalpy Chem 12.
Unit 3 Review (Calculator)
Unimolecular Dissociation of the Methylsulfonyl Radical and its CH3OSO Isomer Laurie J. Butler, Department of Chemistry, The University of Chicago, Chicago,
Activities What’s for Dinner? Name: Period: Me
Area of Investigation Point: ______________________________
Calculate 9 x 81 = x 3 3 x 3 x 3 x 3 3 x 3 x 3 x 3 x 3 x 3 x =
Computational Studies of Atmospheric Chemistry Intermediates Keith T
Synthesis of New Polydentate Phosphinous Acid Metal Complexes.
Making bonds has the same value but opposite sign
Presentation transcript:

Syn Carbonyl Oxides: Primary and Secondary OH Source?

Relative Energies in kcal/mol from CBS-QB3 Calculations Kuwata, K. T.; Templeton, K. L.; Hasson, A. S. J. Phys. Chem. A 2003, 107, Kuwata, Hasson, Dickinson, Petersen, Valin. J. Phys. Chem. A 2005, 109, IIa. Acyl H-Shifts in  -Oxoperoxy Radicals

Kuwata, K. T.; Templeton, K. L.; Hasson, A. S. J. Phys. Chem. A 2003, 107,

Kuwata, K. T.; Hasson, A. S.; Dickinson, R. V.; Petersen, E. B.; Valin, L. C. J. Phys. Chem. A 2005, 109, 2514.

Kuwata, K. T.; Hasson, A. S.; Dickinson, R. V.; Petersen, E. B.; Valin, L. C. J. Phys. Chem. A 2005, 109, 2514.