摘要
The geometry,electronic stucture and bond of L a CO,one of the rare earth carbonyl compounds,havebeen studied with SCM- DV- Xαmethod.From the resultsitiscertified thatthe L a CO isalinearmolecule,in which thebond length of L a- C and C- O are 0 .2 2 73nm and 0 .1179 nm respectively,theσcoordinatebond and theπ- back bond are formed between L aand CO. Itis also showed thatthe L a- C bond hasaboutmorethan90 % covalentcharacter and the4 f orbitals play a certain role in the bonding of La CO.
The geometry,electronic stucture and bond of L a CO,one of the rare earth carbonyl compounds,havebeen studied with SCM- DV- Xαmethod.From the resultsitiscertified thatthe L a CO isalinearmolecule,in which thebond length of L a- C and C- O are 0 .2 2 73nm and 0 .1179 nm respectively,theσcoordinatebond and theπ- back bond are formed between L aand CO. Itis also showed thatthe L a- C bond hasaboutmorethan90 % covalentcharacter and the4 f orbitals play a certain role in the bonding of La CO.
出处
《无机化学学报》
SCIE
CAS
CSCD
北大核心
1996年第2期197-199,共3页
Chinese Journal of Inorganic Chemistry
基金
国家自然科学基金
国家科委攀登计划项目
