A molecular electron density theory study for [3+2] cycloaddition reactions of N-benzylcyclohexylnitrone with methyl-3-butenoate-Reference-Cited by-同舟云学术

A molecular electron density theory study for [3+2] cycloaddition reactions of N-benzylcyclohexylnitrone with methyl-3-butenoate

Published:2021 Issue:1 Volume:45 Page:262-267
ISSN:1144-0546
Container-title:New Journal of Chemistry
language:en
Short-container-title:New J. Chem.

Author:

Mohammad-Salim Haydar A.¹²³⁴^ORCID,Basheer Huda Ahmed¹²³⁴,Abdallah Hassan H.¹⁵⁶⁴,Zeroual Abdellah⁷⁸⁹¹⁰¹¹^ORCID,Jamil Lazgin Abdi¹²³⁴

Affiliation:

1. Department of Chemistry

2. University of Zakho

3. Duhok

4. Iraq

5. Salahaddin University

6. Erbil

7. Molecular Modeling and Spectroscopy Research Team

8. Faculty of Science

9. Chouaïb Doukkali University

10. El Jadida 24000

11. Morocco

Abstract

The [3+2] cycloaddition (32CA) reactions of N-benzylcyclohexylnitrone 1 with methyl-3-butenoate 2 have been studied within molecular electron density theory (MEDT) at the B3LYP/6-311++G(d,p) level of theory.

Publisher

Royal Society of Chemistry (RSC)

Subject

Materials Chemistry,General Chemistry,Catalysis

Link

http://pubs.rsc.org/en/content/articlepdf/2021/NJ/D0NJ04049E

Reference46 articles.

1. Mechanistic study of the [2+2] cycloaddition reaction of cyclohexenone and its derivatives with vinyl acetate

2. Theoretical Study of the [4+2] Cycloaddition Reaction of Trifluoroethylene with Five-membered Chalcogens Heterocyclic Compounds

3. Theoretical Study for the [2+2] Cycloaddition Reaction Mechanism of Ketenes and their Derivatives

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