Unusual H/D isotope effect in isomerization and keto–enol tautomerism reactions of pyruvic acid: nuclear quantum effect restricts some rotational isomerization reactions-Reference-Cited by-同舟云学术

Unusual H/D isotope effect in isomerization and keto–enol tautomerism reactions of pyruvic acid: nuclear quantum effect restricts some rotational isomerization reactions

Published:2017 Issue:15 Volume:7 Page:9328-9337
ISSN:2046-2069
Container-title:RSC Advances
language:en
Short-container-title:RSC Adv.

Author:

Udagawa Taro¹²³⁴⁵^ORCID,Sugiura Keita¹²³⁴⁵,Suzuki Kimichi⁶⁷⁸⁹⁵,Tachikawa Masanori⁶⁷⁸⁹⁵

Affiliation:

1. Department of Chemistry and Biomolecular Science

2. Faculty of Engineering

3. Gifu University

4. Gifu 501-1193

5. Japan

6. Quantum Chemistry Division

7. Graduate School of Science

8. Yokohama City University

9. Yokohama

Abstract

H/D isotope effects on isomerization and keto–enol tautomerism reactions of the pyruvic acid molecule have been investigated using the multicomponent B3LYP methods, which can take account of the nuclear quantum effect of protons and deuterons.

Publisher

Royal Society of Chemistry (RSC)

Subject

General Chemical Engineering,General Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2017/RA/C6RA28271G

Reference42 articles.

1. Experimental (FT-IR) and theoretical (DFT-IR) studies of keto–enol tautomerism in pyruvic acid

2. Characterization of keto-enol tautomerism of p -hydroxyphenylpyruvic acid using CE with amperometric detection and spectrometric analysis

3. Decomposition of Pyruvic Acid on the Ground-State Potential Energy Surface

4. A DFT study of the structures of pyruvic acid isomers and their decarboxylation

5. Effect of aqueous solvation on the structures of pyruvic acid isomers and their reactions in solution: a computational study

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