14N NQR study of isomeric effect

被引：0

作者：

Huang X.-Y. ^{[1
,2
]}

Xu G.-G. ^{[1
]}

Lv N. ^{[1
]}

Huang Q.-A. ^{[1
]}

Xue T. ^{[1
,3
]}

机构：

[1] State Key Laboratory of Explosion Science and Technology, Beijing Institute of Technology, Beijing

[2] Institute of Fluid Physics, China Academy of Engineering Physics, Mianyang

[3] Unit 61699, Zhijiang

来源：

| 1600年 / Atomic Energy Press卷 / 50期

关键词：

Carboxyl pyridine; Isomerism; Isonicotinic acid; Nicotinic acid; NQR;

D O I：

10.7538/yzk.2016.50.02.0338

中图分类号：

学科分类号：

摘要：

In order to explore the isomeric effect on 14N nuclear quadrupole resonance (NQR) characteristics of nitrogenous compounds, the nicotinic and isonicotinic acids, serving as mutual isomers that both belong to carboxyl pyridines, were taken as research objects based on the NQR fundamental principles and hybrid orbital valence bond theories. In this paper, the similarities and differences of 14N NQR characteristics due to those of molecular structures were investigated from resonance spectra, characteristic parameters and hybrid effects. According to the comparative analysis about the experimental results, it can be found that there are plenty of similarities and differences in 14N NQR characteristics owing to the molecular isomerism. Or rather, in terms of resonance spectra, the similarities are reflected in spectral shape with differences in resonance point of the spectra for low frequencies. As far as characteristic parameters, the similarities are embodied in quadrupole coupling constant with differences in asymmetry parameter. With regard to hybrid effects, the similarities are concretized in hybrid form with differences in orbital occupation. © 2016, Editorial Board of Atomic Energy Science and Technology. All right reserved.

引用

页码：338 / 342

页数：4

共 16 条

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