Observation and Rovibrational Analysis of the Intermolecular NH3 Libration Band of H3N−HCN

Autor:	B Nelander, Flemming Hegelund, R. Wugt Larsen
Rok vydání:	2005
Předmět:	Absorption spectroscopy Chemistry Hydrogen bond Intermolecular force Libration Molecule Rotational–vibrational spectroscopy Rotational spectroscopy Physical and Theoretical Chemistry Atomic physics Spectroscopy
Zdroj:	The Journal of Physical Chemistry A. 109:4459-4463
ISSN:	1520-5215 1089-5639
DOI:	10.1021/jp044740w
Popis:	The high-resolution far-infrared absorption spectrum of the gaseous molecular complex H(3)N-HCN is recorded by means of static gas-phase Fourier transform far-infrared spectroscopy at 247 K, using a synchrotron radiation source. The spectrum contains distinct rotational structures which are assigned to the intermolecular NH(3) libration band nu9(1) (nu(B)) of the pyramidal H(3)N-HCN complex. A rovibrational analysis based on a standard semirigid symmetric top molecule model yields the band origin of 260.03(10) cm(-1), together with values for the upper state rotational constant B' and the upper state quartic centrifugal distortion constants D'(J) and D'(JK). The values for the upper state spectroscopic constants indicate that the hydrogen bond in the H(3)N-HCN complex is destabilized by 5% and elongates by 0.010 A upon excitation of a quantum of libration of the hydrogen bond acceptor molecule.
Databáze:	OpenAIRE
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