β-technetium dichloride: Solid-state modulated structure, electronic structure, and physical properties

Christos D Malliakas, Frederic Poineau, Erik V. Johnstone, Philippe F. Weck, Eunja Kim, Brian L. Scott, Paul M. Forster, Mercouri Kanatzidis, Kenneth R. Czerwinski, Alfred P. Sattelberger*

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

8 Scopus citations

Abstract

A second polymorph of technetium dichloride, β-TcCl2, has been synthesized from the reaction of Tc metal and chlorine in a sealed tube at 450 C. The crystallographic structure and physical properties of β-TcCl2 have been investigated. The structure of β-TcCl2 consists of infinite chains of face sharing [Tc 2Cl8] units; within a chain, the Tc-Tc vectors of two adjacent [Tc2Cl8] units are ordered in the long-range where perpendicular and/or parallel arrangement of Tc-Tc vectors yields a modulated structure. Resistivity and Seebeck measurements performed on a β-TcCl2 single crystal indicate the compound to be a p-type semiconductor while a magnetic susceptibility measurement shows technetium dichloride to be diamagnetic. A band gap of 0.12(2) eV was determined by reflectance spectroscopy measurements. Theoretical calculations at the density functional level were utilized for the investigation of other possible stable forms of TcCl2.

Original languageEnglish (US)
Pages (from-to)15955-15962
Number of pages8
JournalJournal of the American Chemical Society
Volume135
Issue number42
DOIs
StatePublished - Oct 31 2013

ASJC Scopus subject areas

  • Catalysis
  • Chemistry(all)
  • Biochemistry
  • Colloid and Surface Chemistry

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