THE ACETYLENE-SULFUR DIOXIDE VAN DER WAALS COMPLEX
Anne Milasincic Andrews, Kurt W. Hillig, Robert L. Kuczkowski, N. W. Howard, Anthony Charles Legon
Abstract
Anne Milasincic Andrews, Kurt W. Hillig, Robert L. Kuczkowski, N. W. Howard, Anthony Charles Legon
Abstract
Thirty-three a- and c-dipole transitions of the acetylene $SO_{2}$ van der Waals complex have been observed by Fourier transform microwave spectroscopy. They are fit with a Watson S-reduced Hamiltonian to rotational constants $A = 7176.804(2) MHz, B = 2234.962(1) MHz, C = 1796.160(1) MHz$. The structure of the complex has the $C_{2}H_{2}$ and $SO{2}$ straddling an ac symmetry plane (i.e. only the S atom lies in the planel. The two subunits are separated by a distance $R_{cm} = 3.431 (1) {\\AA}$ and the $C_{2}$ axis of the $SO_{2}$ is tilted $14.1(1)^{\\circ}$ from the perpendicular to the Rcm vector with the S atom closer to the acetylene. The dipole moment of the complex is 1.683(5) D. The deuterium nuclear quadrupole hyperfine splitting was resolved and assigned for both the $C_{2}HDSO_{2}$ and $C_{2}D_{2}SO_{2}$ species. Although the $C_{2}H_{4}-SO_{2}- C_{2}H_{4}O_{3}$ and $C_{2}H_{2}-O_{3}$ complexes all exhibit tunneling doublets from an internal rotation of the hydrocarbon subunit, no doubling was observed for the $C_{2}H_{2}-SO_{2}$ complex.
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Thirty-three a- and c-dipole transitions of the acetylene $SO_{2}$ van der Waals complex have been observed by Fourier transform microwave spectroscopy. They are fit with a Watson S-reduced Hamiltonian to rotational constants $A = 7176.804(2) MHz, B = 2234.962(1) MHz, C = 1796.160(1) MHz$. The structure of the complex has the $C_{2}H_{2}$ and $SO{2}$ straddling an ac symmetry plane (i.e. only the S atom lies in the planel. The two subunits are separated by a distance $R_{cm} = 3.431 (1) {\\AA}$ and the $C_{2}$ axis of the $SO_{2}$ is tilted $14.1(1)^{\\circ}$ from the perpendicular to the Rcm vector with the S atom closer to the acetylene. The dipole moment of the complex is 1.683(5) D. The deuterium nuclear quadrupole hyperfine splitting was resolved and assigned for both the $C_{2}HDSO_{2}$ and $C_{2}D_{2}SO_{2}$ species. Although the $C_{2}H_{4}-SO_{2}- C_{2}H_{4}O_{3}$ and $C_{2}H_{2}-O_{3}$ complexes all exhibit tunneling doublets from an internal rotation of the hydrocarbon subunit, no doubling was observed for the $C_{2}H_{2}-SO_{2}$ complex.
Key concepts: Sulfur dioxide, van der Waals force, Acetylene, Chemistry, Organic chemistry, Molecule