Low Temperature Physics: 29, 870 (2003); https://doi.org/10.1063/1.1619361 (6 pages)
Физика Низких Температур: Том 29, Выпуск 9-10 (Сентябрь 2003), c. 1140-1146    ( к оглавлению , назад )

Matrix-isolation FTIR study of azidoacetone and azidoacetonitrile

Marcin Frankowski1, Manuel Algarra2, Paula Rodrigues3, Maria T. Barros3,M. Natália D.S. Cordeiro4, Brigitte S. Fox1, Alice M. Smith-Gicklhorn1

Martin K. Beyer1, Maria L. Costa2, and Vladimir E. Bondybey1

1Institute of Physical and Theoretical Chemistry, Technical University of Munich Garching 85747, Germany
2CEFITEC, Department of Physics, Fac. Sciences and Technology, Universidade Nova de Lisboa Caparica P-2829-516, Portugal
E-mail: bondybey@ch.tum.de;
frankowski@ch.tum.de

3CQFB, Department of Chemistry, Fac. Sciences and Technology, Universidade Nova de Lisboa, Caparica P-2829-516, Portugal
4 REQUIMTE, Department of Chemistry, Fac. Sciences, Universidade do Porto Porto 4169-007, Portugal

Аннотация

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.

PACS:
67.40.Yv - Impurities and other defects
07.60.Vg - Fiber-optic instruments (see also 42.81.-i Fiber optics)