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


Valence-bond calculations on N2 and isoelectronic species
Authors:Robert G A R Maclagan  Richard W Simpson
Abstract:Valence-bond calculations are reported for the isoelectronic series of molecules and ions: N2, CO, BF, NO+ and CN?. The most important structures are N?N, C?O, Bπ? F, N+?O and C?N. Hybridization of the 2s and 2p orbitals is important. Only two or three structures are required to obtain an energy lower than that obtained with the molecular orbital approximation. Structures in which the electronegative element loses a σ-orbital or gains a π-orbital are favored. π-bonds tend to be favored over σ-bonds. The bond in NO+ resembles that in CO, whereas that in CN? resembles the bonding in N2.
Keywords:
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