Microscopic mechanism of light-induced tetrazole-quinone 1,3-dipolar cycloaddition: a MS-CASPT2 theoretical investigation-Reference-Cited by-同舟云学术

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Microscopic mechanism of light-induced tetrazole-quinone 1,3-dipolar cycloaddition: a MS-CASPT2 theoretical investigation

Published:2021 Issue:52 Volume:11 Page:32792-32798
ISSN:2046-2069
Container-title:RSC Advances
language:en
Short-container-title:RSC Adv.

Author:

He Yang¹²,Xu Dong-Hui²,Zhang Yan-Jun³,Zhang Chun³,Guo Jian-Min³,Li Laicai²^ORCID,Liang Xiao-Qin²

Affiliation:

1. College of Pharmacy, Southwest Mdeical University, Luzhou 646000, China

2. College of Chemistry and Material Science, Sichuan Normal University, Chengdu 610068, China

3. College of Basic Medicine, Southwest Medical University, Luzhou 646000, China

Abstract

The microscopic mechanisms of light-induced tetrazole-quinone 1,3-dipolar cycloaddition are elucidated using high level MS-CASPT2 calculations.

Funder

Southwest Medical University

Sichuan Normal University

Publisher

Royal Society of Chemistry (RSC)

Subject

General Chemical Engineering,General Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2021/RA/D1RA04636E

Reference34 articles.

1. Nitrogen-Containing Heterocyclic Quinones: A Class of Potential Selective Antitumor Agents

2. Enzymatic modification of 5′-capped RNA with a 4-vinylbenzyl group provides a platform for photoclick and inverse electron-demand Diels–Alder reaction

3. Tetrazole Photoclick Chemistry: Reinvestigating Its Suitability as a Bioorthogonal Reaction and Potential Applications

4. Novel quinolinequinone antitumor agents: structure-metabolism studies with NAD(P)H:quinone oxidoreductase (NQO1)

5. Synthesis and antitumor evaluation of selected 5,6-disubstituted 1(2)H-indazole-4,7-diones

Cited by 2 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. Substitution effects on the mechanism of Light-Induced 2,5-Diaryltetrazole-Naphthoquinone 1,3-Dipolar Cycloaddition: A theoretical study;Computational and Theoretical Chemistry;2023-04

2. Elucidating the N−N and C−N Bond‐breaking Mechanism in the Photoinduced Formation of Nitrile Imine;ChemPhysChem;2023-03-23

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