Accession Number:

ADA218840

Title:

Computations of Vibrational Infrared Frequencies of Selected Amines

Descriptive Note:

Contract rept. Jan-Mar 1988

Corporate Author:

PENNSYLVANIA UNIV PHILADELPHIA

Report Date:

1990-01-01

Pagination or Media Count:

22.0

Abstract:

We computed the infrared vibrational modes and frequencies of a group of four primary amines, four secondary amines, and three tertiary amines. The computations make use of the Gaussian 86 Program Package with the 3-21G basis set and the Hartree-Fock option. The agreement between the computed values and the available experimental data seems reasonable. Keywords Chlorosubstituted amines Tertiary amines.

Subject Categories:

  • Organic Chemistry
  • Physical Chemistry

Distribution Statement:

APPROVED FOR PUBLIC RELEASE