Provider: ingentaconnect
Database: ingentaconnect
Content: application/x-research-info-systems
TY - ABST
AU - Colthup, Norman B.
TI - The Calculation of Some CH Wag Group Frequencies in Substituted Benzenes, Naphthalenes, and Acetylenes
JO - Applied Spectroscopy
PY - 1976-11-01T00:00:00///
VL - 30
IS - 6
SP - 589
EP - 593
KW - Group frequencies
KW - Molecular orbital calculations, benzenes
KW - Acetylenes
KW - Napththalenes
KW - Electron density calculations
KW - CH wag vibrations
N2 - Nineteen quantitative relationships are presented which enable the calculation of certain CH wag group frequencies in some substituted benzenes, naphthalenes, and acetylenes. Four involve computer calculation of molecular orbital electron densities and one involves Hammett values. The
remaining 14 relationships involve simple functions between different CH wag group frequencies based on electron density relationships. This verifies a general tendency for unsaturated CH wag force constants to be weakened when the total electron density on the carbon of the CH is increased.
UR - http://www.ingentaconnect.com/content/sas/sas/1976/00000030/00000006/art00003
M3 - doi:10.1366/000370276774456714
UR - http://dx.doi.org/10.1366/000370276774456714
ER -