Cryosolution infrared study of hydrogen bonded halothane acetylene complex

Результат исследований: Научные публикации в периодических изданияхстатьярецензирование

1 Цитирования (Scopus)

Аннотация

The interactions between halothane (2-bromo-2-chloro-1,1,1-trifluoroethane) and acetylene (C2H2) are studied by FTIR spectroscopy. Results obtained in liquid cryosolutions in Kr suggest weak complex formation stabilized by H – bond. The complexation enthalpy (∼11 kJ/mol) is evaluated in a series of temperature measurements (T ∼ 120–160 K) of integrated intensity of selected bands performed in liquefied Kr. The quantum chemical MP2/6-311++G(2d,2p) calculations predict four different structures of the complex. The most stable and populated (94% at T∼120 K) structure corresponds to the H – bond between H atom of halothane and pi-electron of triple bond between C atoms of acetylene. Wave numbers of vibrational bands of the most stable structure are calculated in anharmonic approximation implemented in Gaussian program.

Язык оригиналаанглийский
Страницы (с-по)434-439
Число страниц6
ЖурналJournal of Molecular Structure
Том1160
DOI
СостояниеОпубликовано - 15 мая 2018

Предметные области Scopus

  • Аналитическая химия
  • Спектроскопия
  • Неорганическая химия
  • Органическая химия

Fingerprint Подробные сведения о темах исследования «Cryosolution infrared study of hydrogen bonded halothane acetylene complex». Вместе они формируют уникальный семантический отпечаток (fingerprint).

Цитировать