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DETERMINATION OF THE SPECTROSCOPIC CONSTANTS OF A DARK VIBRATIONAL-STATE - FERMI AND CORIOLIS PERTURBATIONS IN THE NU-2 BAND OF FORMYL CHLORIDE

TitleDETERMINATION OF THE SPECTROSCOPIC CONSTANTS OF A DARK VIBRATIONAL-STATE - FERMI AND CORIOLIS PERTURBATIONS IN THE NU-2 BAND OF FORMYL CHLORIDE
Publication TypeJournal Article
Year of Publication1994
AuthorsJoo, DL, Clouthier, DJ, Merer, AJ
JournalJournal of Chemical Physics
Volume101
Pagination31-38
Date PublishedJul
Type of ArticleArticle
ISBN Number0021-9606
KeywordsACID, CL ATOM, FORMALDEHYDE, FTIR, INFRARED-SPECTRUM, MICROWAVE-SPECTRUM, OH, OXIDATION
Abstract

The nu(2) infrared fundamental of the transient molecule formyl chloride, HCOCl, has been recorded at high resolution. Detailed assignments of the rotational structure have been made for both HCO Cl-35 and (HCOCl)-Cl-37. The nu(2) band, whose origin is at 1784.1377 cm(-1) in (HCOCl)-Cl-35, is predominantly A type with a very weak B-type component. Numerous excited state perturbations occur throughout the band, caused mainly by Δ K-a\=2 Fermi resonance and Δ K-a\=1 Coriolis interactions with the 3(1)5(1) vibrational state. Even though no ’’extra’’ lines resulting from the perturbations could be assigned, a complete analysis of the perturbed rotational structure has been possible. Accurate molecular constants for both the ’’bright’’ perturbed 2(1) state and the ’’dark’’ 3(1)5(1) perturbing state have been obtained, using a Hamiltonian which includes both the Fermi and Coriolis interactions; only two interaction parameters are needed, one for each mechanism. Further perturbations at high K-a are assigned to Coriolis interactions with the 5(2)6(1) level.

URL<Go to ISI>://A1994NT52100005