Matrix-isolation FTIR study of azidoacetone and azidoacetonitrile

Spectroscopy in Cryocrystals and Matrices

Автор(и)

  • Marcin Frankowski Institute of Physical and Theoretical Chemistry, Technical University of Munich Garching 85747, Germany
  • Maria L. Costa CEFITEC, Department of Physics, Fac. Sciences and Technology, Universidade Nova de Lisboa Caparica P-2829-516, Portugal
  • Martin K. Beyer Institute of Physical and Theoretical Chemistry, Technical University of Munich Garching 85747, Germany
  • Alice M. Smith-Gicklhorn Institute of Physical and Theoretical Chemistry, Technical University of Munich Garching 85747, Germany
  • Brigitte S. Fox Institute of Physical and Theoretical Chemistry, Technical University of Munich Garching 85747, Germany
  • ,M. Natália D.S. Cordeiro REQUIMTE, Department of Chemistry, Fac. Sciences, Universidade do Porto Porto 4169-007, Portugal
  • Maria T. Barros CQFB, Department of Chemistry, Fac. Sciences and Technology, Universidade Nova de Lisboa, Caparica P-2829-516, Portugal
  • Paula Rodrigues CQFB, Department of Chemistry, Fac. Sciences and Technology, Universidade Nova de Lisboa, Caparica P-2829-516, Portugal
  • Manuel Algarra CEFITEC, Department of Physics, Fac. Sciences and Technology, Universidade Nova de Lisboa Caparica P-2829-516, Portugal
  • Vladimir E. Bondybey Institute of Physical and Theoretical Chemistry, Technical University of Munich Garching 85747, Germany

DOI:

https://doi.org/10.1063/1.1619361

Ключові слова:

PACS: 67.40.Yv, 07.60.Vg

Анотація

Azidoacetonitrile (N3CH2CN) and azidoacetone (N3CH2COCH3) were studied by matrix-isolation FTIR spectroscopy in solid neon, argon and nitrogen. The IR spectra calculated using the density fuctional theoretical method are discussed in comparison with the experimental data. Significant broadening of the recorded azide bands indicate an awkward fit of these compounds into the solid environment. The strongest absorption is observed for both compounds in the regions of asymmetric and symmetric stretches of the N3 azide group. Strong band splittings in the N3 asymmetric stretch region can be most likely explained by very strong Fermi resonances with the CN stretch and combinations and overtones of the numerous lower frequency vibrational modes.

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Опубліковано

2003-09-01

Як цитувати

(1)
Frankowski, M.; Costa, M. L.; Beyer, M. K.; Smith-Gicklhorn, A. M.; Fox, B. S.; Cordeiro, ,M. N. D.; Barros, M. T.; Rodrigues, P.; Algarra, M.; Bondybey, V. E. Matrix-Isolation FTIR Study of Azidoacetone and Azidoacetonitrile: Spectroscopy in Cryocrystals and Matrices. Fiz. Nizk. Temp. 2003, 29, 1140-1146.

Номер

Том 29 № 9-10 (2003)

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