Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
5391168 | Chemical Physics Letters | 2006 | 4 Pages |
Abstract
The adiabatic ionization energy of methyl-p-aminobenzoate has been determined to be 63549 ± 5 cmâ1, which is greater than that of aniline by 1278 cmâ1. This blue shift results from the COOCH3 substitution at the para position and is consistent with that predicted by the Gaussian-3 calculations. Analysis on the cation spectra shows that the active vibrations include in-plane modes 9b, 6b, 12 and 1 with frequencies of 476, 599, 803, and 831 cmâ1, respectively.
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Changyong Li, Shih Chang Yang, Wen Bih Tzeng,