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 G Kanatzidis, Kenneth R. Czerwinski, Alfred P. Sattelberger

Research output: Contribution to journalArticle

8 Citations (Scopus)

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
Pages (from-to)15955-15962
Number of pages8
JournalJournal of the American Chemical Society
Volume135
Issue number42
DOIs
Publication statusPublished - 2013

Fingerprint

Technetium
Electronic structure
Physical properties
Semiconductors
Chlorine
Spectrum Analysis
Metals
Polymorphism
Magnetic susceptibility
Energy gap
Single crystals
Spectroscopy
Semiconductor materials

ASJC Scopus subject areas

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

Cite this

Malliakas, C. D., Poineau, F., Johnstone, E. V., Weck, P. F., Kim, E., Scott, B. L., ... Sattelberger, A. P. (2013). β-technetium dichloride: Solid-state modulated structure, electronic structure, and physical properties. Journal of the American Chemical Society, 135(42), 15955-15962. https://doi.org/10.1021/ja408459k

β-technetium dichloride : Solid-state modulated structure, electronic structure, and physical properties. / Malliakas, Christos D.; Poineau, Frederic; Johnstone, Erik V.; Weck, Philippe F.; Kim, Eunja; Scott, Brian L.; Forster, Paul M.; Kanatzidis, Mercouri G; Czerwinski, Kenneth R.; Sattelberger, Alfred P.

In: Journal of the American Chemical Society, Vol. 135, No. 42, 2013, p. 15955-15962.

Research output: Contribution to journalArticle

Malliakas, CD, Poineau, F, Johnstone, EV, Weck, PF, Kim, E, Scott, BL, Forster, PM, Kanatzidis, MG, Czerwinski, KR & Sattelberger, AP 2013, 'β-technetium dichloride: Solid-state modulated structure, electronic structure, and physical properties', Journal of the American Chemical Society, vol. 135, no. 42, pp. 15955-15962. https://doi.org/10.1021/ja408459k
Malliakas, Christos D. ; Poineau, Frederic ; Johnstone, Erik V. ; Weck, Philippe F. ; Kim, Eunja ; Scott, Brian L. ; Forster, Paul M. ; Kanatzidis, Mercouri G ; Czerwinski, Kenneth R. ; Sattelberger, Alfred P. / β-technetium dichloride : Solid-state modulated structure, electronic structure, and physical properties. In: Journal of the American Chemical Society. 2013 ; Vol. 135, No. 42. pp. 15955-15962.
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