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A Combined Gas-Phase Electron Diffraction/Mass Spectrometric Study of the Sublimation Processes of TeBr4 and TeI4: The Molecular Structure of Tellurium Dibromide and Tellurium Diiodide

  1. Sergey A. Shlykov1,
  2. Heinz Oberhammer2,
  3. Anton V. Titov1,
  4. Nina I. Giricheva3,
  5. Georgiy V. Girichev1

Article first published online: 20 OCT 2008

DOI: 10.1002/ejic.200800700

Issue

European Journal of Inorganic Chemistry

European Journal of Inorganic Chemistry

Volume 2008, Issue 33, pages 5220–5227, November 2008

Additional Information

How to Cite

Shlykov, S. A., Oberhammer, H., Titov, A. V., Giricheva, N. I. and Girichev, G. V. (2008), A Combined Gas-Phase Electron Diffraction/Mass Spectrometric Study of the Sublimation Processes of TeBr4 and TeI4: The Molecular Structure of Tellurium Dibromide and Tellurium Diiodide. Eur. J. Inorg. Chem., 2008: 5220–5227. doi: 10.1002/ejic.200800700

Author Information

  1. 1

    Department of Physics, Ivanovo State University of Chemistry and Technology, Engels av. 7, Ivanovo 153000 Russia, Fax: +7-4932-41-79-95

  2. 2

    Institut für Physikalische und Theoretische Chemie, Universität Tübingen, 72076 Tübingen, Germany, Fax: +49-7071-295490

  3. 3

    Department of Physical Chemistry, Ivanovo State University, Ermaka st. 39, Ivanovo 153025 Russia

Publication History

  1. Issue published online: 11 NOV 2008
  2. Article first published online: 20 OCT 2008
  3. Manuscript Received: 15 JUL 2008

Funded by

  • Deutsche Forschungsgemeinschaft, DFG. Grant Number: 413 RUS 113/69/0–6
  • Russian Foundation for Basic Research, RFBR. Grant Number: 07–03–91561-HHNO_a

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Keywords:

  • Tellurium halides;
  • Gas-phase electron diffraction;
  • Mass spectrometry;
  • Quantum chemical calculations

Abstract

The sublimation processes of TeBr4 at 471(5) K and TeI4 at 373(5) K were studied with a combined gas-phase electron diffraction and mass spectrometric technique (GED/MS). The mass spectra and the analysis of the GED intensities showed that a contribution of 40(3) mol-% TeBr2, 59(3) mol-% Br2, and 1 mol-% TeBr4 was formed in the vapor over TeBr4(s). Solid tellurium tetraiodide decomposes to form I2(g) and Te(s). A very small contribution of 3.3 ± 2.1 mol-% of gaseous TeI2 was also determined by both GED and MS. The “metallic” Te accumulated in the solid phase vaporizes at above ca. 670 K as the predominately Te2 molcular species. Refinement of the GED intensities resulted in rg(Te–Br) = 2.480(5) Å and ∠gBr–Te–Br = 99.0(6)° for TeBr2 and rg(Te–I) = 2.693(9) Å and ∠g(I–Te–I) = 103.1(22)° for TeI2. The small contribution of TeBr4 observed in the mass spectra of the vapor over TeBr4 could not be observed in the GED data. Geometric parameters and vibrational frequencies for the tellurium dihalides TeX2 with X = F, Cl, Br, and I were calculated with B3LYP, MP2, CCSD, and CCSD(T) methods by using aug-cc-pVTZ basis sets and various core potentials for the tellurium atom. Bonding properties in tellurium dihalides are discussed on the basis of natural bond orbital analyses. (© Wiley-VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2008)

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