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Free keywords:
DOUBLE-RESONANCE SPECTROSCOPY; AB-INITIO CALCULATIONS; ION-DIP SPECTROSCOPY; INTERMOLECULAR VIBRATIONS; CONFORMATIONAL LANDSCAPES; STRETCHING VIBRATIONS; SUPERSONIC JETS; AMINO-ACIDS; FLUORESCENCE; TRYPTOPHAN
Abstract:
The IR absorption spectrum of the jet-cooled benzoic acid monomer and dimer have been recorded throughout the 500–1900 cm–1 range via ion dip spectroscopy. Both spectra show a wealth of vibrational modes and the monomer spectrum is remarkably different from that of the dimer. Density functional theory calculations show quantitative agreement with the experimental data. The C–O–H out-of-plane bending vibration in the dimer is poorly reproduced in the theoretical calculations and a more accurate description of the doubly hydrogen bonded structure is therefore still needed.
