Controlled Alcohol−Ketone Interconversion by Dihydrogen Transfer: An ab Initio Study of the Methanol−Formaldehyde Complex-Reference-Cited by-同舟云学术

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Controlled Alcohol−Ketone Interconversion by Dihydrogen Transfer: An ab Initio Study of the Methanol−Formaldehyde Complex

Published:2002-09-24 Issue:41 Volume:106 Page:9512-9519
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Brumer Yisroel¹,Shapiro Moshe¹,Brumer Paul²,Baldridge Kim K.³

Affiliation:

1. Chemical Physics Department, The Weizmann Institute of Science, Rehovot, Israel 76100

2. Chemical Physics Theory Group, Department of Chemistry, University of Toronto, Toronto, Canada M5S 3H6

3. University of California, San Diego, 9500 Gilman Drive, La Jolla, California 92093-0505

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp020689p

Reference68 articles.

1. Symmetry and molecular chirality

2. Quantum theory and molecular structure

3. Chiral Molecules with Achiral Excited States: A Computational Study of 1,3-Dimethylallene

4. Theory of enantiomeric control in dimethylallene using achiral light

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1. Complexes of Formaldehyde and α-Dicarbonyls with Hydroxylamine: FTIR Matrix Isolation and Theoretical Study;Molecules;2021-02-20

2. References;Quantum Control of Molecular Processes;2012-01-02

3. Photo-Induced Hydrogen Exchange Reaction between Methanol and Glyoxal: Formation of Hydroxyketene;ChemPhysChem;2008-08-25

4. Uncatalyzed Transfer Hydrogenation of Quinones and Related Systems: A Theoretical Mechanistic Study;The Journal of Physical Chemistry A;2007-06-23

5. Modeling the nitrogenase FeMo cofactor with high-spin Fe8 S9 X+ (XN, C) clusters. Is the first step for N2 reduction to NH3 a concerted dihydrogen transfer?;Journal of Computational Chemistry;2007-02-23

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