Accession Number : ADA184277

Title :   Tetrahedral Carbon and Interstitial Electrons in Li Cluster: CLi4 and (LiCH3)4.

Descriptive Note : Technical rept.,

Corporate Author : PENNSYLVANIA UNIV PHILADELPHIA DEPT OF PHYSICS

Personal Author(s) : Messmer,Richard P ; Tatar,Robert C

PDF Url : ADA184277

Report Date : Jan 1987

Pagination or Media Count : 9

Abstract : The use of electronic structure calculations which include important electron correlation effects have yielded recently two quite significant findings. The first, is the discovery by McAdon and Goddard that bonding in alkali metal clusters and simple metals is via interstitial one-electron bonds. The second is that the carbon atom employs essentially tetrahedral hybrid orbitals not only for single bonds in saturated molecules, but also for double bonds, triple bonds and conjugated molecules such as benzene. The object of the present work is to illustrate how these two concepts about chemical bonding can be combined to provide a simple consistent physical picture of the bonding in CLi4 and (LiCH3)4. The basic principles illustrated by these two molecules provide the basis for understanding the structure and bonding of a wide class of organolithium compounds.

Descriptors :   *ALKALI METALS, *CARBON, *ELECTRONS, *CHEMICAL BONDS, *LITHIUM COMPOUNDS, *ORGANOMETALLIC COMPOUNDS, CLUSTERING, ATOMS, MOLECULES, CORRELATION, ELECTRONS, INTERSTITIAL, SATURATION, BONDED JOINTS, BENZENE, ELECTRONICS, METALS

Subject Categories : Inorganic Chemistry

Distribution Statement : APPROVED FOR PUBLIC RELEASE