Campus Units

Chemistry

Document Type

Article

Publication Version

Published Version

Publication Date

2003

Journal or Book Title

Inorganic Chemistry

Volume

42

Issue

13

First Page

4165

Last Page

4170

DOI

10.1021/ic034075q

Abstract

The new compound Ta4SI11 has been prepared by direct reaction of the elements at 430 °C for 2 weeks in evacuated Pyrex ampules and characterized by single-crystal X-ray diffraction, X-ray photoelectron spectroscopy, magnetic susceptibility measurements, and semiempirical electronic structure calculations. Ta4SI11 crystallizes with orthorhombic symmetry in space group Pmmn; a = 16.135(3) Å, b = 3.813(1) Å, c = 8.131(2) Å, and Z = 1. The disordered structure involves two crystallographically distinct sites for Ta atoms, both of which are 50% occupied as well as a bridging anion site that is 50% S and 50% I. Magnetic susceptibility above 100 K gives μeff = 1.53 μB to suggest one unpaired electron per formula unit. X-ray photoelectron spectroscopy and extended Hückel calculations suggest that the structure consists of Ta3 triangles and “isolated” Ta atoms, leading to the formulation (Ta3)9+(Ta4+)(S2-)(I-)11 and we hypothesize that each Ta3 is capped by a sulfur atom.

Comments

Reprinted (adapted) with permission from Inorg. Chem., 2003, 42 (13), pp 4165–4170. Copyright 2003 American Chemical Society.

Copyright Owner

American Chemical Society

Language

en

File Format

application/pdf

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