Computations of Vibrational Infrared Frequencies of Selected Amines

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.

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Document Details

Document Type
Technical Report
Publication Date
Jan 01, 1990
Accession Number
ADA218840

Entities

People

  • E. I. Newhouse
  • George R. Famini
  • Hendrik F. Hameka
  • James O. Jensen

Organizations

  • University of Pennsylvania

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  • Energy and Power Technologies

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  • Abstracts
  • Accuracy
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  • Chemical Detection
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  • Computational Science
  • Computations
  • Experimental Data
  • Frequency
  • Geometry
  • Infrared Spectra
  • Mathematical Analysis
  • Molecules
  • Raman Spectra
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  • Spectra
  • Symmetry

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  • Organic Chemistry
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