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


Power law relationships between bond length, bond strength and electron density distributions
Authors:G V Gibbs  F C Hill  M B Boisen  R T Downs
Institution:(1) Department of Geological Sciences and Materials Sciences and Engineering and Mathematics, Virginia Tech, Blacksburg, VA 24601, USA, Fax: +1 703 231 3386, e-mail: boisen@vt.edu, US;(2) Department of Geological Sciences, University of Arizona, Tucson, AZ 85721, USA, US
Abstract:The strength of a bond, defined as p=s/r, where s is the Pauling bond strength and r is the row number of an M cation bonded to an oxide anion, is related to a build-up of electron density along the MO bonds in a relatively large number of oxide and hydroxyacid molecules, three oxide minerals and three molecular crystals. As p increases, the value of the electron density is observed to increase at the bond critical points with the lengths of the bonds shortening and the electronegativities of the M cations bonded to the oxide anion increasing. The assertion that the covalency of a bond is intrinsically connected to its bond strength is supported by the electron density distribution and its bond critical point properties. A connection also exists between the properties of the electron density distributions and the connectivity of the bond strength network formed by the bonded atoms of a structure. Received: 20 August 1997 / Revised, accepted: 3 November 1997
Keywords:
本文献已被 SpringerLink 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