Benchmarking acetylthiophene derivatives: methyl internal rotations in the microwave spectrum of 2-acetyl-5-methylthiophene-Reference-Cited by-同舟云学术

Benchmarking acetylthiophene derivatives: methyl internal rotations in the microwave spectrum of 2-acetyl-5-methylthiophene

Published:2023 Issue:1 Volume:25 Page:509-519
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Dindić Christina¹,Nguyen Ha Vinh Lam²³^ORCID

Affiliation:

1. Institute of Physical Chemistry, RWTH Aachen University, Landoltweg 2, D-52074 Aachen, Germany

2. Univ Paris Est Creteil and Université de Paris, CNRS, LISA, F-94010 Créteil, France

3. Institut Universitaire de France (IUF), F-75231 Paris cedex 05, France

Abstract

The time required for recording survey scans of the microwave spectrum of the title molecule with two inequivalent methyl internal rotors was significantly reduced with the help of adequate spectral analysis skill and quantum chemical benchmarking.

Funder

Agence Nationale de la Recherche

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2023/CP/D2CP03897H

Reference79 articles.

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