Isotopic studies, structure and modeling of the nitrous oxide-acetylene complex

Citation
Ra. Peebles et al., Isotopic studies, structure and modeling of the nitrous oxide-acetylene complex, J PHYS CH A, 103(50), 1999, pp. 10813-10818
Citations number
31
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
JOURNAL OF PHYSICAL CHEMISTRY A
ISSN journal
10895639 → ACNP
Volume
103
Issue
50
Year of publication
1999
Pages
10813 - 10818
Database
ISI
SICI code
1089-5639(199912)103:50<10813:ISSAMO>2.0.ZU;2-S
Abstract
The microwave spectra of six isotopomers of HCCH . N2O have been measured. The structure of the complex has been fully determined. The monomers have a planar, nearly parallel orientation. They deviate from parallel by 13.6 de grees, and the tilt moves the oxygen end of the N2O closer to the acetylene , The centers of mass of the two monomers are separated by 3.2961(8) Angstr om. The dipole moment of the HCCH .(N2O)-N-15 isotope has been measured, gi ving mu(a) = 0.0915(7) D, mu(b) = 0.1503(19) D, and mu(tot) = 0.1759(16) D. The conclusions of this work refine previous experimental and semiempirica l studies. New semiempirical calculations using a different model agree wel l with the current results.