β-Technetium Dichloride: Solid-State Modulated Structure, Electronic Structure, and Physical Properties.
A second polymorph of technetium dichloride, β-TcCl, 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-TcCl have been investigated. The structure of β-TcCl consists of infinite chains of face sharin...
| Published in: | Journal of the American Chemical Society Vol. 135; no. 42; pp. 15955 - 15963 |
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| Main Authors: | , , , , , , , , , |
| Format: | Article |
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American Chemical Society
10/23/2013
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| Subjects: | |
| Online Access: | View this record in EBSCOhost |
| fields | @attributes: recordID: 1 pdfLink: plink: https://search.ebscohost.com/login.aspx?direct=true&db=hlh&AN=91871617&site=ehost-live header: @attributes: shortDbName: hlh uiTerm: 91871617 longDbName: Humanities International Complete uiTag: AN controlInfo: bkinfo: jinfo: jid: 00027863 ACS jtl: Journal of the American Chemical Society issn: 00027863 maglogo: N pubinfo: dt: 10/23/2013 vid: 135 iid: 42 pid: 997 pub: American Chemical Society artinfo: ui: 91871617 10.1021/ja408459k ppf: 15955 ppct: 8 formats: tig: atl: β-Technetium Dichloride: Solid-State Modulated Structure, Electronic Structure, and Physical Properties. aug: au: 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. affil: Department of Chemistry, Northwestern University, Evanston, Illinois 60208, United States Materials Science Division, Argonne National Laboratory, Argonne, Illinois 60439, United States Department of Chemistry, University of Nevada Las Vegas, Las Vegas, Nevada 89154, United States Sandia National Laboratories, Albuquerque, New Mexico 87185, United States Department of Physics and Astronomy, University of Nevada Las Vegas, Las Vegas, Nevada 89154, United States Materials Physics and Applications Division, Los Alamos National Laboratory, Los Alamos, New Mexico 87545, United States Energy Engineering and Systems Analysis Directorate, Argonne National Laboratory, Argonne, Illinois 60439, United States su: Technetium Chlorides Electronic structure Crystallography Seebeck effect Electrical resistivity Single crystals Density functionals sug: subj: Technetium Chlorides Electronic structure Crystallography Seebeck effect Electrical resistivity Single crystals Density functionals ab: A second polymorph of technetium dichloride, β-TcCl, 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-TcCl have been investigated. The structure of β-TcCl consists of infinite chains of face sharing [TcCl] units; within a chain, the Tc≡Tc vectors of two adjacent [TcCl] 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-TcCl 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 TcCl. pubtype: Academic Journal doctype: Article src: R language: English refInfo: copyright: @attributes: flag: Y dt: @attributes: year: 2013 holdings: @attributes: islocal: N |
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