The infrared study of fluoroform + methyl fluoride mixtures in argon and nitrogen matrices. Evidence of nonlinear blue-shifting complex formation

Результат исследований: Научные публикации в периодических изданияхстатьярецензирование

5 Цитирования (Scopus)

Аннотация

The FTIR spectra of fluoroform + methyl fluoride mixtures trapped in argon and nitrogen matrices are studied at T~10–30 K. Spectroscopic changes observed in the region of the CH stretching mode of fluoroform are typical for weak blue shifting H – bonds of C–H⋯F type. The degeneracy lifting effect found on E – type bands of fluoroform interacted with methyl fluoride suggests the complex formation of a nonlinear form. The experimental results are confirmed by ab initio calculations of fluoroform + methyl fluoride based on the second order Møller-Plesset theory of perturbations utilizing advanced basis set. Nonlinear complexes are stabilized by the basic C–H⋯F interaction and additionally by van der Waals-type C–D⋯F–C contacts between deuterated methyl fluoride and fluoroform.

Язык оригиналаанглийский
Страницы (с-по)185-194
Число страниц10
ЖурналSpectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy
Том203
DOI
СостояниеОпубликовано - 5 окт 2018

Предметные области Scopus

  • Аналитическая химия
  • Контрольно-измерительные инструменты
  • Атомная и молекулярная физика и оптика
  • Спектроскопия

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