A search for an inexpensive calculational method for the reliable prediction of the first adiabatic and vertical ionization potentials of carbenes. Photoelectron spectra of two stable carbenes

Canadian Journal of Chemistry

Volumn 76, Issue 2, 1998, Pages 221-227

  Muchall, Heidi M ^a   Werstiuk, Nick H ^a   Choudhury, Biswajit ^a  

^a MCMASTER UNIVERSITY   (Canada)

Author keywords

Carbenes; Electronic structure; First ionization potential; Photoelectron spectroscopy; Quantum chemical calculations

Indexed keywords

CARBON; COMPUTATIONAL METHODS; EIGENVALUES AND EIGENFUNCTIONS; ELECTRONIC STRUCTURE; IONIZATION; PHOTOELECTRON SPECTROSCOPY; QUANTUM THEORY;

ADIABATIC IONIZATION POTENTIAL; CARBENES; VERTICAL IONIZATION POTENTIAL;

ORGANIC COMPOUNDS;

EID: 0032001429     PISSN: 00084042     EISSN: None     Source Type: Journal    
DOI: 10.1139/cjc-76-2-221     Document Type: Article

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