UPS and quantum-chemical study of compounds containing SiNCX (X=0, S) groups

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Abstract

The electronic structure and geometry of the (CH3)nSi(NCX)4-n (n=0, 1, 2, 3; X=0, S) series have been investigated using photoelectron spectroscopy and CNDO/S semiempirical quantum-chemical calculations. Although the spectra indicate the linearity of the SiNCX chains the splitting of the bands is not sensitive to the SiNC angle.

Original languageEnglish
Pages (from-to)411-416
Number of pages6
JournalJournal of Molecular Structure
Volume175
Issue numberC
DOIs
Publication statusPublished - 1988

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Photoelectron Spectroscopy
Photoelectron spectroscopy
Electronic structure
linearity
photoelectron spectroscopy
electronic structure
Geometry
geometry

ASJC Scopus subject areas

  • Structural Biology
  • Organic Chemistry
  • Physical and Theoretical Chemistry
  • Spectroscopy
  • Materials Science (miscellaneous)
  • Atomic and Molecular Physics, and Optics

Cite this

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title = "UPS and quantum-chemical study of compounds containing SiNCX (X=0, S) groups",
abstract = "The electronic structure and geometry of the (CH3)nSi(NCX)4-n (n=0, 1, 2, 3; X=0, S) series have been investigated using photoelectron spectroscopy and CNDO/S semiempirical quantum-chemical calculations. Although the spectra indicate the linearity of the SiNCX chains the splitting of the bands is not sensitive to the SiNC angle.",
author = "T. Veszpr{\'e}mi and T. Pasinszki and L. Nyul{\'a}szi and G. Csonka and I. Barta",
year = "1988",
doi = "10.1016/S0022-2860(98)80112-9",
language = "English",
volume = "175",
pages = "411--416",
journal = "Journal of Molecular Structure",
issn = "0022-2860",
publisher = "Elsevier",
number = "C",

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T1 - UPS and quantum-chemical study of compounds containing SiNCX (X=0, S) groups

AU - Veszprémi, T.

AU - Pasinszki, T.

AU - Nyulászi, L.

AU - Csonka, G.

AU - Barta, I.

PY - 1988

Y1 - 1988

N2 - The electronic structure and geometry of the (CH3)nSi(NCX)4-n (n=0, 1, 2, 3; X=0, S) series have been investigated using photoelectron spectroscopy and CNDO/S semiempirical quantum-chemical calculations. Although the spectra indicate the linearity of the SiNCX chains the splitting of the bands is not sensitive to the SiNC angle.

AB - The electronic structure and geometry of the (CH3)nSi(NCX)4-n (n=0, 1, 2, 3; X=0, S) series have been investigated using photoelectron spectroscopy and CNDO/S semiempirical quantum-chemical calculations. Although the spectra indicate the linearity of the SiNCX chains the splitting of the bands is not sensitive to the SiNC angle.

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U2 - 10.1016/S0022-2860(98)80112-9

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JO - Journal of Molecular Structure

JF - Journal of Molecular Structure

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