Thermodynamics of acetylene van der Waals dimerization
β Scribed by A.J. Colussi; S.P. Sander; R.R. Friedl
- Publisher
- Elsevier Science
- Year
- 1991
- Tongue
- English
- Weight
- 638 KB
- Volume
- 178
- Category
- Article
- ISSN
- 0009-2614
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β¦ Synopsis
Integrated band intensities of the 620 cm-' absorption in (CrHZ)Z have been measured by FTIR spectroscopy at constant acetylene pressure between 198 and 273 K. These data, in conjunction with ab initio results for (C2H2)r, have been used for the statistical evaluation of the equilibrium constant K,(T) for acetylene cluster dimerization. Present results are used to clarify the role of molecular clusters in chemical systems at or near equilibrium, in particular in Titan's stratosphere.
π SIMILAR VOLUMES
Vibrational energy levels for the van der Waals bond of argon-hydrogen halide (Ar.. .XH) molecules are calculated by use of the WKB method with available potential parameters for the Lennard-Jones (12-6) function. The numbers of vrbrational energy levels are 7, 10,12, and 14 for ArHF, ArHCl, ArHSr a
The imeracwn energes or the van der Waals dlmcrs H20-HLO, Cl,-HF. CIF-HF and N20-HF have been calculaled for a range of geometries using ab mlrio SCF Echniques. The SCF bindmg energies have been decomposed into electrostatic. exchange. polarkation and charge-lransrer contributions and Lhe intermolec