TY - JOUR
T1 - Ab initio calculations of field substituent parameters and evaluation of substituent parameters through substituent effects on stability of ketenimines, isocyanides, and nitriles
AU - Sung, Kuangsen
PY - 2002/10/1
Y1 - 2002/10/1
N2 - Field substituent parameters of 26 substituents were calculated by ab initio calculations at the level of CBS-4M. The field substituent parameters, along with resonance substituent parameter σR, group electronegativity ι, and polarizability parameter σα, correlate well with stabilization energies (SE) of ketenimines, isocyanides, and nitriles, providing useful information about substituent electronic effects on the stability of ketenimines, isocyanides, and nitriles.
AB - Field substituent parameters of 26 substituents were calculated by ab initio calculations at the level of CBS-4M. The field substituent parameters, along with resonance substituent parameter σR, group electronegativity ι, and polarizability parameter σα, correlate well with stabilization energies (SE) of ketenimines, isocyanides, and nitriles, providing useful information about substituent electronic effects on the stability of ketenimines, isocyanides, and nitriles.
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U2 - 10.1039/b206051e
DO - 10.1039/b206051e
M3 - Article
AN - SCOPUS:0036026282
SN - 0300-9580
VL - 2
SP - 1658
EP - 1661
JO - Journal of the Chemical Society. Perkin Transactions 2
JF - Journal of the Chemical Society. Perkin Transactions 2
IS - 10
ER -