Spectra and structure of organogermanes. XXII. Microwave, infrared, and Raman spectra of methylgermyl cyanide

J. R. Durig, Abu Bakar Mohamad, G. M. Attia, Y. S. Li, Stephen Cradock

Research output: Contribution to journalArticle

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Abstract

The microwave spectra have been recorded from 18.0 to 26.5 GHz for 12CH3GeH2 12C14N, 13CH3GeH2 12C14N, 12CH3GeH2 12C15N, 12CH3GeH2 13C14N, 12CH3GeD2 12C14N, and 12CD3GeH2 12C14N of the four naturally occurring isotopes of germane: 76Ge, 72Ge, 74Ge, and 76Ge. Only a-type transitions were observed and R-branch assignments have been made for all the isotopic species in the ground vibrational state from which the rotational constants were determined. From these data the complete structural parameters were determined to be r 0(CME-Ge)=1.933±0.002 Å, r(Ge-C CN)=1.927±0.004 Å r(C≡N)=1.155±0.004 Å r(Ge-H)=1.521±0.001 Å, r(C-Hs)=1.092±0. 005 Å r(C-Ha)=1.092±0.005 Å, spherical angle signCGeC=107.36°±0.60°, spherical angle signHGeH=111. 41°±0.04°, spherical angle signHGeCMe=112. 92°±0.08°, spherical angle signHsCGe=109. 5°±2.0°, and <HaCGe=109.3°±0.8°, where all of the parameters are rs values except for the carbon-hydrogen distances and angles. The dipole moment components were determined from the Stark effect to be |μt|=4.20±0.14, |μb|=0.39±0.03, and |μt|=4.22±0.14 D. From the microwave splitting method, the threefold barrier to internal rotation was determined to be 1148±23 cal/mol (402±8 cm-1). The infrared (3200 to 50 cm-1) and Raman spectra (3200 to 10 cm -1) of gaseous and solid CH3GeH2CN, CH 3GeD2CN, and CD3GeH2CN have been obtained. Additionally, the Raman spectra of the liquids have been recorded and qualitative depolarization values have been obtained. A complete vibrational assignment is proposed based on infrared band contours, depolarization values, and isotopic shifts. These results are compared to similar quantities in some related molecules.

Original languageEnglish
Pages (from-to)10-23
Number of pages14
JournalThe Journal of Chemical Physics
Volume83
Issue number1
Publication statusPublished - 1985
Externally publishedYes

Fingerprint

Depolarization
microwave spectra
Cyanides
cyanides
Raman scattering
infrared spectra
Microwaves
Raman spectra
Infrared radiation
Stark effect
Dipole moment
Isotopes
Hydrogen
Carbon
depolarization
Molecules
Liquids
vibrational states
dipole moments
isotopes

ASJC Scopus subject areas

  • Atomic and Molecular Physics, and Optics

Cite this

Durig, J. R., Mohamad, A. B., Attia, G. M., Li, Y. S., & Cradock, S. (1985). Spectra and structure of organogermanes. XXII. Microwave, infrared, and Raman spectra of methylgermyl cyanide. The Journal of Chemical Physics, 83(1), 10-23.

Spectra and structure of organogermanes. XXII. Microwave, infrared, and Raman spectra of methylgermyl cyanide. / Durig, J. R.; Mohamad, Abu Bakar; Attia, G. M.; Li, Y. S.; Cradock, Stephen.

In: The Journal of Chemical Physics, Vol. 83, No. 1, 1985, p. 10-23.

Research output: Contribution to journalArticle

Durig, J. R. ; Mohamad, Abu Bakar ; Attia, G. M. ; Li, Y. S. ; Cradock, Stephen. / Spectra and structure of organogermanes. XXII. Microwave, infrared, and Raman spectra of methylgermyl cyanide. In: The Journal of Chemical Physics. 1985 ; Vol. 83, No. 1. pp. 10-23.
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title = "Spectra and structure of organogermanes. XXII. Microwave, infrared, and Raman spectra of methylgermyl cyanide",
abstract = "The microwave spectra have been recorded from 18.0 to 26.5 GHz for 12CH3GeH2 12C14N, 13CH3GeH2 12C14N, 12CH3GeH2 12C15N, 12CH3GeH2 13C14N, 12CH3GeD2 12C14N, and 12CD3GeH2 12C14N of the four naturally occurring isotopes of germane: 76Ge, 72Ge, 74Ge, and 76Ge. Only a-type transitions were observed and R-branch assignments have been made for all the isotopic species in the ground vibrational state from which the rotational constants were determined. From these data the complete structural parameters were determined to be r 0(CME-Ge)=1.933±0.002 {\AA}, r(Ge-C CN)=1.927±0.004 {\AA} r(C≡N)=1.155±0.004 {\AA} r(Ge-H)=1.521±0.001 {\AA}, r(C-Hs)=1.092±0. 005 {\AA} r(C-Ha)=1.092±0.005 {\AA}, spherical angle signCGeC=107.36°±0.60°, spherical angle signHGeH=111. 41°±0.04°, spherical angle signHGeCMe=112. 92°±0.08°, spherical angle signHsCGe=109. 5°±2.0°, and <HaCGe=109.3°±0.8°, where all of the parameters are rs values except for the carbon-hydrogen distances and angles. The dipole moment components were determined from the Stark effect to be |μt|=4.20±0.14, |μb|=0.39±0.03, and |μt|=4.22±0.14 D. From the microwave splitting method, the threefold barrier to internal rotation was determined to be 1148±23 cal/mol (402±8 cm-1). The infrared (3200 to 50 cm-1) and Raman spectra (3200 to 10 cm -1) of gaseous and solid CH3GeH2CN, CH 3GeD2CN, and CD3GeH2CN have been obtained. Additionally, the Raman spectra of the liquids have been recorded and qualitative depolarization values have been obtained. A complete vibrational assignment is proposed based on infrared band contours, depolarization values, and isotopic shifts. These results are compared to similar quantities in some related molecules.",
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T1 - Spectra and structure of organogermanes. XXII. Microwave, infrared, and Raman spectra of methylgermyl cyanide

AU - Durig, J. R.

AU - Mohamad, Abu Bakar

AU - Attia, G. M.

AU - Li, Y. S.

AU - Cradock, Stephen

PY - 1985

Y1 - 1985

N2 - The microwave spectra have been recorded from 18.0 to 26.5 GHz for 12CH3GeH2 12C14N, 13CH3GeH2 12C14N, 12CH3GeH2 12C15N, 12CH3GeH2 13C14N, 12CH3GeD2 12C14N, and 12CD3GeH2 12C14N of the four naturally occurring isotopes of germane: 76Ge, 72Ge, 74Ge, and 76Ge. Only a-type transitions were observed and R-branch assignments have been made for all the isotopic species in the ground vibrational state from which the rotational constants were determined. From these data the complete structural parameters were determined to be r 0(CME-Ge)=1.933±0.002 Å, r(Ge-C CN)=1.927±0.004 Å r(C≡N)=1.155±0.004 Å r(Ge-H)=1.521±0.001 Å, r(C-Hs)=1.092±0. 005 Å r(C-Ha)=1.092±0.005 Å, spherical angle signCGeC=107.36°±0.60°, spherical angle signHGeH=111. 41°±0.04°, spherical angle signHGeCMe=112. 92°±0.08°, spherical angle signHsCGe=109. 5°±2.0°, and <HaCGe=109.3°±0.8°, where all of the parameters are rs values except for the carbon-hydrogen distances and angles. The dipole moment components were determined from the Stark effect to be |μt|=4.20±0.14, |μb|=0.39±0.03, and |μt|=4.22±0.14 D. From the microwave splitting method, the threefold barrier to internal rotation was determined to be 1148±23 cal/mol (402±8 cm-1). The infrared (3200 to 50 cm-1) and Raman spectra (3200 to 10 cm -1) of gaseous and solid CH3GeH2CN, CH 3GeD2CN, and CD3GeH2CN have been obtained. Additionally, the Raman spectra of the liquids have been recorded and qualitative depolarization values have been obtained. A complete vibrational assignment is proposed based on infrared band contours, depolarization values, and isotopic shifts. These results are compared to similar quantities in some related molecules.

AB - The microwave spectra have been recorded from 18.0 to 26.5 GHz for 12CH3GeH2 12C14N, 13CH3GeH2 12C14N, 12CH3GeH2 12C15N, 12CH3GeH2 13C14N, 12CH3GeD2 12C14N, and 12CD3GeH2 12C14N of the four naturally occurring isotopes of germane: 76Ge, 72Ge, 74Ge, and 76Ge. Only a-type transitions were observed and R-branch assignments have been made for all the isotopic species in the ground vibrational state from which the rotational constants were determined. From these data the complete structural parameters were determined to be r 0(CME-Ge)=1.933±0.002 Å, r(Ge-C CN)=1.927±0.004 Å r(C≡N)=1.155±0.004 Å r(Ge-H)=1.521±0.001 Å, r(C-Hs)=1.092±0. 005 Å r(C-Ha)=1.092±0.005 Å, spherical angle signCGeC=107.36°±0.60°, spherical angle signHGeH=111. 41°±0.04°, spherical angle signHGeCMe=112. 92°±0.08°, spherical angle signHsCGe=109. 5°±2.0°, and <HaCGe=109.3°±0.8°, where all of the parameters are rs values except for the carbon-hydrogen distances and angles. The dipole moment components were determined from the Stark effect to be |μt|=4.20±0.14, |μb|=0.39±0.03, and |μt|=4.22±0.14 D. From the microwave splitting method, the threefold barrier to internal rotation was determined to be 1148±23 cal/mol (402±8 cm-1). The infrared (3200 to 50 cm-1) and Raman spectra (3200 to 10 cm -1) of gaseous and solid CH3GeH2CN, CH 3GeD2CN, and CD3GeH2CN have been obtained. Additionally, the Raman spectra of the liquids have been recorded and qualitative depolarization values have been obtained. A complete vibrational assignment is proposed based on infrared band contours, depolarization values, and isotopic shifts. These results are compared to similar quantities in some related molecules.

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