首页 | 本学科首页   官方微博 | 高级检索  
     


A general quadratic force field for the diazirine molecule
Affiliation:1. Departamento de Química Física, Universidad de Granada, Colegio Universitario “Santo Reino” 23071 Jaén, Spain;2. Departamento de Química Física, Universidad de Granada, Facultad de Ciencias, 18071 Granada, Spain;3. Departamento de Química Física, Universidad de Málaga, Facultad de Ciencias, 29071 Málaga, Spain.;1. Université Paris-Saclay, CNRS, Institut des Sciences Moléculaires d’Orsay, 91405 Orsay, France;2. Department of Chemistry, The University of California Davis, Davis, CA, USA;3. Center for Astrophysics ∣ Harvard & Smithsonian, Cambridge, MA 02138, USA;4. SOLEIL Synchrotron, AILES beamline, l’Orme des Merisiers, Saint-Aubin, 91190 Gif-sur-Yvette, France
Abstract:A general quadratic force field has been calculated for the vibrations of the diazirine molecule by the refinement of a series of force constants obtained recently ab initio by Wiberg et al. for cyclopropene. The calculated force constants have been refined to fit the frequencies for the H2CN2 and D2CN2 species and the isotopic shifts of the H13CN2 and H2C15N2 species.
Keywords:
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