The vibrations and the molecular structure of urea and guanidonium

Author:

Abstract

The vibrations of urea and guanidonium have been calculated for a field containing valence and angle forces. The assumption is made that urea has the symmtery C 2 v and guanidonium C 3 h . It is shown that it is possible to assign every observed frequency of these two substances to definite modes of vibration under these assumptions. The force constants have been evaluated and have been found to be f C-N = 7.1 x 10 5 dynes/cm. for guanidonium, and f C-N = 6.6 x 10 5 dynes/cm. and f C=0 = 9.7 x 10 5 dynes/cm. for urea. These values are compatible with the ’hypothesis that quantum mechanical resonance occurs in both molecules, with the result that the C—N bond in urea has approximately 28 % double-bond character and the C=O linkage a corresponding single-bond character. The guanidonium ion shows complete resonance; each C—N bond has 1/3 double-bond character. Curves have been drawn to illustrate the relation between the valence force constants and the bond character.

Publisher

The Royal Society

Subject

Pharmacology (medical)

Reference4 articles.

1. Angus Bailey Hale Ingold Leckie Raisin Thomson and W ilson 1936 Chem. Soc.p. 971.

2. Proc. Roy;Bailey Carson;Soc. A,1939

3. Kohlrausch 1931 Der

4. Phys;Kohlrausch;Z .,1936

Cited by 29 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. Guanidine and guanidinium cation in the excited state—theoretical investigation;The Journal of Chemical Physics;2014-08-21

2. Solvent effects on guanidinium-anion interactions and the problem of guanidinium Y-aromaticity;Journal of Physical Organic Chemistry;2013-03-19

3. Theoretical Study of the Interaction between the Guanidinium Cation and Chloride and Sulfate Anions;Journal of Chemical Theory and Computation;2005-08-18

4. Consequences of proton transfer in guanidine;Journal of Physical Organic Chemistry;2003

5. Vibrational Analysis of Urea;The Journal of Physical Chemistry A;1999-05-29

同舟云学术

1.学者识别学者识别

2.学术分析学术分析

3.人才评估人才评估

"同舟云学术"是以全球学者为主线,采集、加工和组织学术论文而形成的新型学术文献查询和分析系统,可以对全球学者进行文献检索和人才价值评估。用户可以通过关注某些学科领域的顶尖人物而持续追踪该领域的学科进展和研究前沿。经过近期的数据扩容,当前同舟云学术共收录了国内外主流学术期刊6万余种,收集的期刊论文及会议论文总量共计约1.5亿篇,并以每天添加12000余篇中外论文的速度递增。我们也可以为用户提供个性化、定制化的学者数据。欢迎来电咨询!咨询电话:010-8811{复制后删除}0370

www.globalauthorid.com

TOP

Copyright © 2019-2024 北京同舟云网络信息技术有限公司
京公网安备11010802033243号  京ICP备18003416号-3