title: Theoretical design of novel trinuclear sandwich complexes with central M3 triangles (M = Ni, Pd, Pt).
abstract: On the basis of the 18-electron rule, we theoretically designed a series of sandwich complexes [M(3)L(2)(CO)(3)](q) (M = Ni, Pd, Pt; L = C(7)H(7), P(5), P(6), As(5), As(6); q = 2+, 0, or 2-) by means of density functional theory computations. These sandwich structures are of high stability, revealed by their strong donating and back-donating metal-ligand interactions, considerable aromatic characters as well as sizable energy gaps. All these proposed sandwich structures might serve as promising building blocks for new nanomaterials.
authors.affiliation: Wuhan Center for Magnetic Resonance, State Key Laboratory of Magnetic Resonance and Atomic and Molecular Physics, Wuhan Institute of Physics and Mathematics, Chinese Academy of Sciences, Wuhan 430071, P. R. China. pengjin@wipm.ac.cn
authors.forename: Peng
authors.initials: P
authors.lastname: Jin
authors.forename: Fengyu
authors.initials: F
authors.lastname: Li
authors.forename: Zhongfang
authors.initials: Z
authors.lastname: Chen