STABILITIES OF ISOMERS OF LAC12+ AND LAC13+

Citation
S. Roszak et K. Balasubramanian, STABILITIES OF ISOMERS OF LAC12+ AND LAC13+, Chemical physics letters, 264(1-2), 1997, pp. 80-84
Citations number
20
Categorie Soggetti
Physics, Atomic, Molecular & Chemical
Journal title
ISSN journal
00092614
Volume
264
Issue
1-2
Year of publication
1997
Pages
80 - 84
Database
ISI
SICI code
0009-2614(1997)264:1-2<80:SOIOLA>2.0.ZU;2-U
Abstract
Theoretical studies that employ ab initio density functional technique s have been presented for the relative stabilities of isomers of LaC12 + and LaC13+. While LaC12+ exhibits the most stable isomer with La ins erted into the carbon ring, LaC13+ exhibits the most stable structure in which the La atom is inside the ring. Our computations are consiste nt with the recent experimental study on LaCn+ isomers which suggests alternation of fast and slow ring isomers as a function of n.