Vibration--rotation spectrum of the acetylene--carbon monoxide van der Waals molecule in the 3. mu. region

Journal Article · Thu Jun 01 04:00:00 EDT 1989 · J. Chem. Phys.; (United States)

OSTI ID:6068367

Marshall, M D; Prichard, D G; Muenter, J S

The infrared absorption spectrum of the acetylene--carbon monoxide van der Waals molecule has been obtained in the 3 ..mu.. region. A color center laser was used to excite the vibration of the complex which corresponds to the antisymmetric hydrogen stretching mode in the monomer in a pulsed molecular jet. The form of the spectrum indicates that the molecule is a linear, hydrogen bonded complex, although excited state perturbations are present. The vibrational origin is at 3279.898(2) cm/sup -1/ and the ground state B value is 1397.4(6) MHz, corresponding to a separation of 5.011 A for the monomer centers of mass. The spectrum cannot directly distinguish between the HCCH--CO and the HCCH--OC configurations, but the combined evidence of other hydrogen bonded complexes of carbon monoxide, the expectation that the observed hydrogen bond should be slightly shorter than the sum of van der Waals radii, and a distributed multipole analysis strongly favors the HCCH--CO configuration.

• Research Organization: Department of Chemistry, Amherst College, Amherst, Massachusetts 01002
• OSTI ID: 6068367
• Journal Information: J. Chem. Phys.; (United States), Journal Name: J. Chem. Phys.; (United States) Vol. 90:11; ISSN JCPSA
• Country of Publication: United States
• Language: English

Related Subjects

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
400201 -- Chemical & Physicochemical Properties
640302* -- Atomic
Molecular & Chemical Physics-- Atomic & Molecular Properties & Theory
74 ATOMIC AND MOLECULAR PHYSICS
ACETYLENE
ADDUCTS
ALKYNES
CARBON COMPOUNDS
CARBON MONOXIDE
CARBON OXIDES
CHALCOGENIDES
CHEMICAL BONDS
COMPLEXES
HYDROCARBONS
INFRARED SPECTRA
ORGANIC COMPOUNDS
OXIDES
OXYGEN COMPOUNDS
SPECTRA
VAN DER WAALS FORCES