Electron-withdrawing effects on the molecular structure of 2- and 3-nitrobenzonitrile revealed by broadband rotational spectroscopy and their comparison with 4-nitrobenzonitrile-Reference-Cited by-同舟云学术

Electron-withdrawing effects on the molecular structure of 2- and 3-nitrobenzonitrile revealed by broadband rotational spectroscopy and their comparison with 4-nitrobenzonitrile

Published:2018 Issue:34 Volume:20 Page:22210-22217
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Graneek Jack B.¹²³⁴⁵,Bailey William C.⁶⁷⁸,Schnell Melanie¹²³⁴⁵^ORCID

Affiliation:

1. Deutsches Elektronen-Synchrotron

2. D-22607 Hamburg

3. Germany

4. CAU Kiel

5. Institute of Physical Chemistry

6. Chemistry-Physics Department, Kean University

7. Union

8. USA

Abstract

The rotational spectra of 2- and 3-nitrobenzonitrile were recorded via chirped-pulse Fourier transform microwave spectroscopy in the frequency range of 2–8 GHz.

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2018/CP/C8CP01539B

Reference33 articles.

1. Synthesis of Isotopically Labelled L-Phenylalanine and L-Tyrosine

2. A comparative study of isomeric polydialkylterthiophenes with regular regiochemistry of substitution. Electrochemical synthesis

3. Simulation of IR and Raman spectra based on scaled DFT force fields: a case study of 2-(methylthio)benzonitrile, with emphasis on band assignment

4. Vibrational spectroscopic investigation of p-, m- and o-nitrobenzonitrile by using Hartree–Fock and density functional theory

5. Decelerating Neutral Dipolar Molecules

Cited by 8 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. 4-(5-Benzyl-3-((4-fluorophenyl)sulfonyl)-5-methyl-4,5-dihydrofuran-2-yl)-2-nitrobenzamide;Molbank;2023-12-15

2. Revealing Internal Rotation and 14N Nuclear Quadrupole Coupling in the Atmospheric Pollutant 4-Methyl-2-nitrophenol: Interplay of Microwave Spectroscopy and Quantum Chemical Calculations;Molecules;2023-02-24

3. Local vs global approaches to treat two equivalent methyl internal rotations and 14N nuclear quadrupole coupling of 2,5-dimethylpyrrole;The Journal of Chemical Physics;2021-05-28

4. Internal rotation and chlorine nuclear quadrupole coupling in 2-chloro-4-fluorotoluene explored by microwave spectroscopy and quantum chemistry;Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy;2021-02

5. New findings from old data: A semi-experimental value for the eQq of the nitrogen atom;The Journal of Chemical Physics;2020-12-21