首页 | 本学科首页   官方微博 | 高级检索  
     检索      


On assignment of fundamental vibrational modes of hypophosphite anion and its deuterated analogue
Authors:Ruifeng Liu  Paula R Moody  Alex S Vanburen  Jeffrey A Clark  Joel A Krauser  Dennis R Tate
Institution:

Department of Chemistry, East Tennessee State University, Johnson City, TN 37614-069, USA

Abstract:Results of ab initio and density functional theory calculations on the structure and vibrational frequencies of hypophosphite anion indicate earlier experimental assignments of the fundamental vibrational modes are correct while the recent reassignments of several modes proposed by Bickley et al. are inconsistent with the calculated results.
Keywords:Ab initio calculations  Vibrational modes  Hypophosphite anions  Infrared spectrometry  Fourier transform  Raman spectrometry  Fourier transform
本文献已被 ScienceDirect 等数据库收录!
设为首页 | 免责声明 | 关于勤云 | 加入收藏

Copyright©北京勤云科技发展有限公司  京ICP备09084417号