title: Coupling of chalcocarbonyl ligands (CE: E = S, Se, Te) on an iron carbonyl site: effect of the chalcogen.
abstract: B3LYP/DZP(Lanl2dz) study of Fe(CO)n(CE)2 (E = S, Se, Te; n = 4, 3) suggests that the Fe(η(2)-E-C) structures are energetically preferred for singlet Fe(CO)4(C2E2) and triplet Fe(CO)3(C2E2). The tendency for coupling reactions of CE ligands to form C2E2 ligands by carbon-carbon bond formation increases in the sequence S < Se < Te.
authors.affiliation: College of Science, Northwest A&F University, Yangling, Shanxi 712100, PR China. zhangzhong6@126.com
authors.forename: Zhong
authors.initials: Z
authors.lastname: Zhang
authors.forename: Liang
authors.initials: L
authors.lastname: Pu
authors.forename: R Bruce
authors.initials: RB
authors.lastname: King