Rotational spectrum and modeling of the OCS-(HCCH)(2) trimer

Authors
Peebles, SA Kuczkowski, RL
Citation
Sa. Peebles et Rl. Kuczkowski, Rotational spectrum and modeling of the OCS-(HCCH)(2) trimer, J MOL ST-TH, 500, 2000, pp. 391-402
Citations number
35
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
ISSN journal
01661280 → ACNP
Volume
500
Year of publication
2000
Pages
391 - 402
Database
ISI
SICI code
0166-1280(20000403)500:<391:RSAMOT>2.0.ZU;2-A
Abstract
The normal isotopomer and three additional isotopic species of the OCS-(HCC H)(2) trimer have been observed by pulsed nozzle Fourier transform microwav e spectroscopy. Semi-empirical modeling predicts a structure that has the t wo acetylene monomers aligned in a geometry between the well-known T-shaped orientation of the acetylene dimer and a parallel intermediate. Rotational constants and dipole moment measurements are consistent with this model. ( C) 2000 Elsevier Science B.V. All rights reserved.