Synthesis, crystal structure and bonding features of a trinuclear cluster [Mo 3X(S 2) 3(dtp) 3I 3] (X=O,S) with layer-like packing

The reaction of Mo 3OS 3(dtp) 4(H 2O) (dtp=S 2P(OC 2H 5) 2) with CuI yielded the new trimolybdenum cluster [Mo 3(μ 3-X)(μ 2-S 2) 3(dtp) 3I 3] (X=58%O+42%S). Crystal structure analysis showed that the compound has a [Mo 3X(S 2) 3] 4+ cluster core, and the I 3 − group functions as a two-way coordinate...

Full description

Saved in:
Bibliographic Details
Published in:Polyhedron 2000-04, Vol.19 (7), p.733-738
Main Authors: Peng, Ying, Lu, Shao-Fang, Fan, Hong-Jun, Wu, Qiang-Jin, Yu, Rong-Min, Huang, Jian-Quan
Format: Article
Language:English
Subjects:
Crystal structures
Electronic structures
Layer-like packing
Mo–S clusters
Citations: Items that this one cites
Items that cite this one
Online Access:Get full text
Tags: Add Tag
No Tags, Be the first to tag this record!
Description
Summary:The reaction of Mo 3OS 3(dtp) 4(H 2O) (dtp=S 2P(OC 2H 5) 2) with CuI yielded the new trimolybdenum cluster [Mo 3(μ 3-X)(μ 2-S 2) 3(dtp) 3I 3] (X=58%O+42%S). Crystal structure analysis showed that the compound has a [Mo 3X(S 2) 3] 4+ cluster core, and the I 3 − group functions as a two-way coordinated ligand which links the three out-of-{Mo 3} plane S atoms in the cluster core at one end (I–S∼3.3 Å) and two adjacent trinuclear clusters at the other (I⋯S∼3.6 Å), thus forming a [Mo 3X(S 2) 3] cluster layer. The bonding features of the cluster characteristic of a semiconductor are demonstrated by energy band and density functional calculations.
ISSN:0277-5387
DOI:10.1016/S0277-5387(00)00298-9