Structure of the aniline benzene and aniline cyclohexane clusters based on infrared depletion spectroscopy
Abstract
The vibrational spectra of jet-cooled aniline-benzene and aniline-cyclohexane clusters have been investigated using infrared depletion spectroscopy combined with REMPI-TOF mass spectrometry. The symmetric and antisymmetric NH 2 stretching bands are red-shifted by 28.4 and 40.9 cm -1 in aniline-benzene and by 1.6 and 1.2 cm -1 in aniline-cyclohexane, from those of the aniline monomer. The spectrum of aniline-benzene suggests a face-to-face structure with NH 2-π hydrogen bonds. This structure is supported by ab initio calculations at the MP2 level, which also reproduce the observed red-shifts. The small red-shifts in aniline-cyclohexane indicate no direct interaction of the amino hydrogens with cyclohexane.
- Publication:
-
Chemical Physics Letters
- Pub Date:
- March 1998
- DOI:
- 10.1016/S0009-2614(97)01455-3
- Bibcode:
- 1998CPL...285...77C