Mass spectra and vibrational spectra of ‘TeCl<sub>2</sub>Br<sub>2</sub>’. The vibrational spectrum of tellurium tetrachloride

Beattie, I. R.; Bizri, O. F.; Blayden, H. E.; Brumbach, S. B.; Bukovszky, Akos; Gilson, T. R.; Moss, Ronald; Phillips, Brian A.

doi:10.1039/dt9740001747

Cited by 10 publications

(9 citation statements)

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“…11 (-: 6: 27: 100: -) at 403-408 K, except for some discrepancy in the TeCl + intensity and the absence of the Te + ion in the cited study, which might be caused by a low sensitivity of the apparatus in ref. 11 for the light mass region. No ions of oligomeric (dimeric, trimeric, etc.)…”

Section: Vapour Compositionmentioning

confidence: 99%

“…The Raman and infrared spectra of TeCl 4 isolated in inertgas matrices 8, 11 does not contradict the C 2v symmetry of these In order to get more precise structural information for the tellurium tetrahalides TeF 4 and TeCl 4 in the gas phase we performed GED experiments and higher level QC calculations. The experiment for TeCl 4 was carried out at a much lower temperature of the sample than that in ref.…”

Section: Introductionmentioning

confidence: 99%

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The structures of tellurium(iv) halides in the gas phase and as solvated molecules

et al. 2010

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The structures of molecular tellurium tetrafluoride and tellurium tetrachloride were determined by a combination of gas-phase electron diffraction, mass spectrometry and quantum chemical calculations. The combined GED/MS experiments showed no evidence of decomposition of TeF(4) and TeCl(4). No ions of oligomeric (dimeric, trimeric, etc.) or any other composition were found in the mass spectra. The monomeric molecules possess a pseudo trigonal bipyramidal structure (C(2v) symmetry) with the equatorial Te-X distances being shorter than the axial ones. The fluorine atoms are bent away from the lone pair resulting in X(eq)-Te-X(eq) and X(eq)-Te-X(ax) bond angles smaller than 120 and 90 degrees, respectively. The structure of solvates TeF(4) (THF)(2), TeF(4) (dioxane) TeF(4) (DME)(2), TeF(4)(Et(2)O) TeF(4)(toluene), TeCl(4)(CH(3)CN)(2), TeCl(4)(DME)(2) and TeCl(4)(dioxane) were determined by X-ray diffraction. The structures of tellurium tetrafluoride solvates are strongly influenced by the choice of the solvent molecules. Monomeric TeF(4) units were obtained with THF, DME and dioxane whereas fluoride bridged coordination polymers were formed using diethyl ether or toluene. All tellurium tetrachloride solvates studied contain monomeric TeCl(4) units with coordinated solvent molecules. Coordination numbers range from four in the gas phase to eight in the TeF(4) dimethoxyethane solvate. Geometric parameters of the TeX(4) molecules in the crystal, solvates and gas phase were compared. DFT, MP2, CCSD, CCSD(T) methods were applied for calculation of geometric and vibrational characteristics of free TeX(4) molecules (X = F, Cl). The pseudorotation barriers were estimated and an NBO analysis was performed. It was shown that both, GED and theoretical, quantitative results are in agreement with the qualitative results of the VSEPR model.

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Section: Vapour Compositionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

The structures of tellurium(iv) halides in the gas phase and as solvated molecules

et al. 2010

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“…Raman and infrared spectroscopic studies supported this C 2v model. 3,4 Of the total of nine fundamentals for a species of this symmetry, five were found in the Raman and two in the infrared spectrum of the vapour. However, these studies were inconclusive as to the position of the B 2 deformation mode: the original assignment 5 to 100 cm Ϫ1 was replaced by a dubious shoulder at 130 cm Ϫ1 , 4 indicated however as tentative.…”

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Gas-phase vibrational spectrum and molecular geometry of TeCl4

Kovács¹,

Martinsen²,

Konings³

1997

J. Chem. Soc., Dalton Trans.

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“…The gas phase infrared and Raman spectra as well as the corresponding spectra in Ar and N 2 matrixes of TeCl 4 have been reported more than thirty years ago by Beattie et al [1]. However, the vibrational description remained incomplete since only seven of the nine fundamental vibrations can be found in these studies.…”

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confidence: 96%

Vibrational Properties of Tellurium Tetrachloride

Baran

2005

Zeitschrift Für Naturforschung A

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On the basis of the most recently reported spectroscopic data on vibrational modes in TeCl 4 and structural parameters of TeCl 4 , an estimation of its main force constants complemented with the calculation of mean amplitudes of vibration in a wide temperature range have been performed. Also thermodynamic functions for the ideal gaseous state of the molecule calculated, using the statistical mechanics approach.

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Mass spectra and vibrational spectra of ‘TeCl₂Br₂’. The vibrational spectrum of tellurium tetrachloride

Cited by 10 publications

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The structures of tellurium(iv) halides in the gas phase and as solvated molecules

The structures of tellurium(iv) halides in the gas phase and as solvated molecules

Gas-phase vibrational spectrum and molecular geometry of TeCl4

Vibrational Properties of Tellurium Tetrachloride

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Mass spectra and vibrational spectra of ‘TeCl2Br2’. The vibrational spectrum of tellurium tetrachloride

Cited by 10 publications

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The structures of tellurium(iv) halides in the gas phase and as solvated molecules

The structures of tellurium(iv) halides in the gas phase and as solvated molecules

Gas-phase vibrational spectrum and molecular geometry of TeCl4

Vibrational Properties of Tellurium Tetrachloride

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Mass spectra and vibrational spectra of ‘TeCl₂Br₂’. The vibrational spectrum of tellurium tetrachloride