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


Molecular Double‐Bond Covalent Radii for Elements Li–E112
Authors:Pekka Pyykkö Prof  Michiko Atsumi Dr
Institution:Department of Chemistry, University of Helsinki, P.O.B. 55 (A.I. Virtasen aukio 1), 00014 Helsinki (Finland), Fax: (+358)?9‐191‐50169
Abstract:The previous systems of triple‐bond and single‐bond self‐consistent, additive covalent radii, R(AB)=r(A)+ r(B), are completed with a fit for σ2π2 double‐bonds.The primary bond lengths, R, are taken from experimental or theoretical data corresponding to chosen group valencies. All r(E) values are obtained from the same, self‐consistent fit. Many of the calculated primary data came from E?CH2 and H? E?CH2 models. Homonuclear LE?EL, formaldehyde‐type Group 14–Group 16 and open‐shell, X 3 Σ Group‐16 dimer data are included. The standard deviation for the 316 included data points is 3 pm.
Keywords:ab initio calculations  covalent radii  double bonds  heavy metals
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