(N2O)(2)center dot SO2: Rotational spectrum and structure of the first vander Waals trimer containing sulfur dioxide

Citation
Ra. Peebles et Rl. Kuczkowski, (N2O)(2)center dot SO2: Rotational spectrum and structure of the first vander Waals trimer containing sulfur dioxide, J CHEM PHYS, 112(20), 2000, pp. 8839-8846
Citations number
39
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
JOURNAL OF CHEMICAL PHYSICS
ISSN journal
00219606 → ACNP
Volume
112
Issue
20
Year of publication
2000
Pages
8839 - 8846
Database
ISI
SICI code
0021-9606(20000522)112:20<8839:(DSRSA>2.0.ZU;2-R
Abstract
The trimer (N2O)(2). SO2 has been studied by Fourier transform microwave sp ectroscopy. The rotational constants for the normal species are A=1369.1014 (11) MHz, B=1115.5816(11) MHz, and C=730.5790(4) MHz. Five isotopomers of t he complex have been studied, allowing a determination of its structure. Th e configuration aligns the centers-of-mass of the three monomers in an appr oximate equilateral triangle. The monomers twist relative to this plane so that the two N2O's are intermediate between T-shaped and crossed rather tha n the usual slipped-parallel planar. The SO2 is oriented so that its oxygen s are straddling one N2O (similar to the N2O . SO2 dimer), while its sulfur is closest to the oxygen end of the other N2O. The dipole moment of ((N2O) -N-15)(2). SO2 was measured, giving mu(a)=0.606(1) D, mu(b)=1.256(2) D, mu( c)=0.058(2) D, and mu(total)=1.396(2) D. A semiempirical model has been use d to predict the trimer structure, and comparison is made with this model a s well as with the dimer N2O . SO2. (C) 2000 American Institute of Physics. [S0021-9606(00)01520-8].