High-resolution infrared study of the ν1 and ν3 bands, and the equilibrium structure of AsD3

O. N. Ulenikov, E. S. Bekhtereva, Yu B. Yuhnik, H. Bürger

Результат исследований: Материалы для журналаСтатья

5 Цитирования (Scopus)

Аннотация

The infrared spectrum of the AsD3 molecule has been measured in the region of the stretching fundamental bands on a Fourier transform spectrometer with a resolution of 0.0027 cm-1 and analyzed for the first time. More than 3300 normally allowed and in addition more than 900 forbidden, but perturbation-allowed transitions with Jmax upper=28 have been assigned to the bands ν1 and ν3. An effective Hamiltonian was used which takes into account the resonance interactions between the states (1000) and (0010). A set of 50 (26 diagonal and 24 resonance) refined spectroscopic parameters was obtained from the fit which reproduces the 1229 initial 'experimental' upper state ro-vibrational energies with an rms deviation of 0.00024 cm-1. The transition moment ratio |μ13| was determined to be 1.2±0.05, and the intensity perturbation μ1 ξ13 y μ3 found to be negative. The equilibrium values of the bond length rAs-D e=1.51130(11) A and interbond angle αD-As-D e=92.0775(40)̊ were determined from the values of the rotational parameters of the ground state and the four fundamental bands.

Язык оригиналаАнглийский
Страницы (с-по)115-123
Число страниц9
ЖурналJournal of Molecular Structure
Том780-781
Номер выпускаSPEC. ISS.
DOI
СостояниеОпубликовано - 3 янв 2006

ASJC Scopus subject areas

  • Structural Biology
  • Organic Chemistry
  • Physical and Theoretical Chemistry
  • Spectroscopy
  • Atomic and Molecular Physics, and Optics
  • Materials Science (miscellaneous)

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