FTIR cryospectroscopic and ab initio studies of desflurane-dimethyl ether H-bonded complexes
Abstract
The IR spectra of mixtures of desflurane and dimethyl ether are studied with the help of FTIR cryospectroscopy in liquefied Kr at T 118-158 K. Comparative analysis of the experimental data and results of ab initio calculations show that either of the two C-H groups of desflurane is involved in heterodimer formation of comparable strengths. The blue frequency shift is found for stretching vibrations of those C-H donors which directly participate in H-bond formation. Additionally the complexes are stabilized by weaker contacts between hydrogen atoms of dimethyl ether and fluorine atoms of desflurane.
- Publication:
-
Spectrochimica Acta Part A: Molecular Spectroscopy
- Pub Date:
- September 2017
- DOI:
- 10.1016/j.saa.2017.04.084
- Bibcode:
- 2017AcSpA.184..163M
- Keywords:
-
- Infrared spectra;
- Desflurane;
- Dimethyl ether;
- Liquid Kr;
- H-bond;
- Blue shift;
- Ab initio calculations