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The photoelectron spectra of methyl pseudohalides (1992)

Pasinszki, T. ; Veszprèmi, T. ; Fehèr, M. ; [et al.]

New York, NY : Wiley-Blackwell

International Journal of Quantum Chemistry 44 (1992), S. 443-453

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ISSN: 0020-7608

Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics

Source: Wiley InterScience Backfile Collection 1832-2000

Topics: Chemistry and Pharmacology

Notes: The He I and He II photoelectron (PE) spectra of methyl pseudohalides (MeNCO, MeNCS, MeNCSe, MeSCN, and MeSeCN) have been recorded. Assignments are based on ab initio quantum chemical calculations, and their comparison with high-resolution He I spectra and He I/He II band intensity ratios. Contradictions found in previous works are largely resolved. The strikingly different spectra of the isomeric forms are interpreted using a consistent model for a methyl-distorted NCX substructure. The effects of the heavy atoms are also discussed. © 1992 John Wiley & Sons, Inc.

Additional Material: 7 Ill.

Type of Medium: Electronic Resource

URL: http://dx.doi.org/10.1002/qua.560440840

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