Molecular Structure of SbI3 and BiI3 from Combined Electron Diffraction and Vibrational Spectroscopic Studies

Judit Molnár, M. Kolonits, M. Hargittai, R. J M Konings, A. S. Booij

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Abstract

The molecular structure of SbI3 and BiI3 have been studied by gas-phase electron diffraction and infrared spectroscopy, BiI3 has been studied by electron diffraction, and SbI3 has been studied by infrared spectroscopy for the first time. Both molecules are pyramidal (C3v symmetry), and their geometries are characterized by the following bond lengths (rg) and bond angles (Zα): Sb-I 2.721 ± 0.005 Å, I-Sb-I 99.0 ± 0.3°, Bi-I 2.807 ± 0.006 Å, and I-Bi-I 99.5 ± 0.3°. Three of the four normal modes of vibration were observed for both molecules: SbI3, V2 = 74.4 cm-1, v3 = 193.6 cm-1, and v4 = 54.6 cm-1 BiI3, v2 = 59.7 cm-1, v3 = 163.5 cm-1, and V4 = 47.0 cm-1. A joint electron diffraction/vibrational spectroscopic analysis was also carried out, from which the harmonic equilibrium geometries were estimated. Force field parameters from a normal coordinate analysis are reported for both molecules.

Original languageEnglish
Pages (from-to)7639-7642
Number of pages4
JournalInorganic Chemistry
Volume35
Issue number26
Publication statusPublished - 1996

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Electron diffraction
Molecular structure
molecular structure
electron diffraction
Molecules
Infrared spectroscopy
infrared spectroscopy
molecules
Spectroscopic analysis
Geometry
spectroscopic analysis
Bond length
geometry
field theory (physics)
vibration mode
Gases
vapor phases
harmonics
symmetry
spectroscopy

ASJC Scopus subject areas

  • Inorganic Chemistry

Cite this

Molecular Structure of SbI3 and BiI3 from Combined Electron Diffraction and Vibrational Spectroscopic Studies. / Molnár, Judit; Kolonits, M.; Hargittai, M.; Konings, R. J M; Booij, A. S.

In: Inorganic Chemistry, Vol. 35, No. 26, 1996, p. 7639-7642.

Research output: Contribution to journalArticle

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abstract = "The molecular structure of SbI3 and BiI3 have been studied by gas-phase electron diffraction and infrared spectroscopy, BiI3 has been studied by electron diffraction, and SbI3 has been studied by infrared spectroscopy for the first time. Both molecules are pyramidal (C3v symmetry), and their geometries are characterized by the following bond lengths (rg) and bond angles (Zα): Sb-I 2.721 ± 0.005 {\AA}, I-Sb-I 99.0 ± 0.3°, Bi-I 2.807 ± 0.006 {\AA}, and I-Bi-I 99.5 ± 0.3°. Three of the four normal modes of vibration were observed for both molecules: SbI3, V2 = 74.4 cm-1, v3 = 193.6 cm-1, and v4 = 54.6 cm-1 BiI3, v2 = 59.7 cm-1, v3 = 163.5 cm-1, and V4 = 47.0 cm-1. A joint electron diffraction/vibrational spectroscopic analysis was also carried out, from which the harmonic equilibrium geometries were estimated. Force field parameters from a normal coordinate analysis are reported for both molecules.",
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AU - Hargittai, M.

AU - Konings, R. J M

AU - Booij, A. S.

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N2 - The molecular structure of SbI3 and BiI3 have been studied by gas-phase electron diffraction and infrared spectroscopy, BiI3 has been studied by electron diffraction, and SbI3 has been studied by infrared spectroscopy for the first time. Both molecules are pyramidal (C3v symmetry), and their geometries are characterized by the following bond lengths (rg) and bond angles (Zα): Sb-I 2.721 ± 0.005 Å, I-Sb-I 99.0 ± 0.3°, Bi-I 2.807 ± 0.006 Å, and I-Bi-I 99.5 ± 0.3°. Three of the four normal modes of vibration were observed for both molecules: SbI3, V2 = 74.4 cm-1, v3 = 193.6 cm-1, and v4 = 54.6 cm-1 BiI3, v2 = 59.7 cm-1, v3 = 163.5 cm-1, and V4 = 47.0 cm-1. A joint electron diffraction/vibrational spectroscopic analysis was also carried out, from which the harmonic equilibrium geometries were estimated. Force field parameters from a normal coordinate analysis are reported for both molecules.

AB - The molecular structure of SbI3 and BiI3 have been studied by gas-phase electron diffraction and infrared spectroscopy, BiI3 has been studied by electron diffraction, and SbI3 has been studied by infrared spectroscopy for the first time. Both molecules are pyramidal (C3v symmetry), and their geometries are characterized by the following bond lengths (rg) and bond angles (Zα): Sb-I 2.721 ± 0.005 Å, I-Sb-I 99.0 ± 0.3°, Bi-I 2.807 ± 0.006 Å, and I-Bi-I 99.5 ± 0.3°. Three of the four normal modes of vibration were observed for both molecules: SbI3, V2 = 74.4 cm-1, v3 = 193.6 cm-1, and v4 = 54.6 cm-1 BiI3, v2 = 59.7 cm-1, v3 = 163.5 cm-1, and V4 = 47.0 cm-1. A joint electron diffraction/vibrational spectroscopic analysis was also carried out, from which the harmonic equilibrium geometries were estimated. Force field parameters from a normal coordinate analysis are reported for both molecules.

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