Journal of Applied Spectroscopy

, Volume 77, Issue 3, pp 309–314 | Cite as

Modeling the vibrational spectrum of 4,4′-diphenylmethane-bis(methyl)carbamate

  • M. B. Shundalau
  • G. A. Pitsevich
  • M. A. Ksenofontov
  • D. S. Umreiko

We present results of ab initio calculations of the structure and vibrational IR spectrum for 4,4′-diphenylmethane-bis(methyl)carbamate (DPMC). Calculations were carried out in the HF/6-311G approximation with subsequent force-field scaling. The calculated characteristics of the vibrational spectrum of DPMC show satisfactory agreement with experimental values, which permits them to be used in spectral and structural analysis


ab initio calculations IR spectrum 4,4′-diphenylmethane-bis(methyl)carbamate force-field scaling 


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Copyright information

© Springer Science+Business Media, Inc. 2010

Authors and Affiliations

  • M. B. Shundalau
    • 1
  • G. A. Pitsevich
    • 1
  • M. A. Ksenofontov
    • 2
  • D. S. Umreiko
    • 2
  1. 1.Belarusian State UniversityMinskBelarus
  2. 2.A. N. Sevchenko Institute of Applied Physical Problems at Belarusian State UniversityMinskBelarus

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