Charge and valence in lithium compounds

✍ Scribed by Karl Jug; Eckhard Fasold; Andres M. Köster

• Publisher: Elsevier Science
• Year: 1992
• Tongue: English
• Weight: 322 KB
• Volume: 188
• Category: Article
• ISSN: 0009-2614
• DOI: 10.1016/0009-2614(92)90025-i

✦ Synopsis

Ab initio calculations on hydrides and small lithium compounds with 4-31G, 6-3 lG* and 6-31G** basis sets are analyzed with respect to atomic net charges and covalent bonding. A weighted and contracted orthogonalization scheme and a multipole analysis are used. The results suggest a nonnegligible amount of covalent bonding in carbon-lithium bonds.