High-resolution infrared spectrum and energy levels of the weakly bound complex, CO-orthoD(2)

Authors
Citation
Arw. Mckellar, High-resolution infrared spectrum and energy levels of the weakly bound complex, CO-orthoD(2), J CHEM PHYS, 112(21), 2000, pp. 9282-9288
Citations number
18
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
JOURNAL OF CHEMICAL PHYSICS
ISSN journal
00219606 → ACNP
Volume
112
Issue
21
Year of publication
2000
Pages
9282 - 9288
Database
ISI
SICI code
0021-9606(20000601)112:21<9282:HISAEL>2.0.ZU;2-O
Abstract
The infrared spectrum of the weakly bound complex CO-orthoD(2), which accom panies the fundamental band of CO in the 4.7 mu m region, has been recorded at high resolution using a long-path (approximate to 200 m), low-temperatu re (approximate to 47 K), absorption cell coupled either with a Fourier tra nsform spectrometer or with a tunable infrared diode laser. A total of 275 transitions, constituting most (> 85%) of the observed lines, have been rot ationally assigned in terms of 83 discrete quantum states of the complex. T he positions of most of these energy levels have been accurately determined (< 0.001 cm(-1)) for both the v(CO)=0 and 1 vibrational states. The bindin g energy of the complex, relative to the zero-point level, was determined t o be about 30 cm(-1). Predicted microwave and millimeter wave frequencies a re given for the pure rotational spectrum. The energy level pattern derived here, together with that determined previously for the analogous CO-paraH( 2) complex, provides direct and precise information for testing and refinin g the intermolecular potential energy surface of the carbon monoxide-hydrog en system. (C) 2000 American Institute of Physics. [S0021-9606(00)02021-3].