High resolution spectral data on molecular complexes observed in free jet expansions and in particular rotationally resolved spectra, provide a wealth of information on the structure and the detailed nature of non-covalent interactions. While many studies can be found on hydrogen bonded complexes with water, less are the ones on ammonia complexes, and the question if ammonia can act as a proton donor was arisen.1 We report the results of Fourier Transform Microwave Spectroscopy (FTMW) and Free Jet Absorption Millimeterwave (FJAMMW) spectroscopy assisted by high level ab initio and electrostatic model calculations of molecular adducts of organic molecules with ammonia: namely CF3H•••NH3, t-butanol•••NH3 and glycidol•••NH3. Our results confirm the idea
Weak C-H...N Hydrogen bond and internal rotation in the Pyridine- Trifluoromethane complex / S. Melandri; B. M. Giuliano; A. Maris; B. Velino; L. B. Favero; W. Caminati. - STAMPA. - (2007), pp. 72-72. (Intervento presentato al convegno Horizons in Hydrogen Bond research tenutosi a S. Pietroburgo (Russia) nel 1-7 Settembre 20007).
Weak C-H...N Hydrogen bond and internal rotation in the Pyridine- Trifluoromethane complex
MELANDRI, SONIA;GIULIANO, BARBARA MICHELA;MARIS, ASSIMO;VELINO, BIAGIO;CAMINATI, WALTHER
2007
Abstract
High resolution spectral data on molecular complexes observed in free jet expansions and in particular rotationally resolved spectra, provide a wealth of information on the structure and the detailed nature of non-covalent interactions. While many studies can be found on hydrogen bonded complexes with water, less are the ones on ammonia complexes, and the question if ammonia can act as a proton donor was arisen.1 We report the results of Fourier Transform Microwave Spectroscopy (FTMW) and Free Jet Absorption Millimeterwave (FJAMMW) spectroscopy assisted by high level ab initio and electrostatic model calculations of molecular adducts of organic molecules with ammonia: namely CF3H•••NH3, t-butanol•••NH3 and glycidol•••NH3. Our results confirm the ideaI documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.
