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Titolo:
The A (6)Sigma(+)-X (6)Sigma(+) transition of CrH, Einstein coefficients, and an improved description of the A state
Autore:
Bauschlicher, CW; Ram, RS; Bernath, PF; Parsons, CG; Galehouse, D;
Indirizzi:
NASA, Ames Res Ctr, Space Technol Div, Moffett Field, CA 94035 USA NASA Moffett Field CA USA 94035 Technol Div, Moffett Field, CA 94035 USA Univ Arizona, Dept Chem, Tucson, AZ 85721 USA Univ Arizona Tucson AZ USA 85721 Arizona, Dept Chem, Tucson, AZ 85721 USA Univ Waterloo, Dept Chem, Waterloo, ON N2L 3G1, Canada Univ Waterloo Waterloo ON Canada N2L 3G1 em, Waterloo, ON N2L 3G1, Canada Univ Akron, Dept Phys, Akron, OH 44325 USA Univ Akron Akron OH USA 44325Univ Akron, Dept Phys, Akron, OH 44325 USA
Titolo Testata:
JOURNAL OF CHEMICAL PHYSICS
fascicolo: 3, volume: 115, anno: 2001,
pagine: 1312 - 1318
SICI:
0021-9606(20010715)115:3<1312:TA((TO>2.0.ZU;2-2
Fonte:
ISI
Lingua:
ENG
Soggetto:
TRANSFORM EMISSION-SPECTROSCOPY; LASER MAGNETIC-RESONANCE; BASIS-SETS; ATOMS; HYDRIDE; SYSTEM;
Tipo documento:
Article
Natura:
Periodico
Settore Disciplinare:
Physical, Chemical & Earth Sciences
Citazioni:
29
Recensione:
Indirizzi per estratti:
Indirizzo: Bauschlicher, CW NASA, Ames Res Ctr, Space Technol Div, Mail Stop 230-3, Moffett Field, CA 94035 USA NASA Mail Stop 230-3 Moffett Field CA USA 94035 94035 USA
Citazione:
C.W. Bauschlicher et al., "The A (6)Sigma(+)-X (6)Sigma(+) transition of CrH, Einstein coefficients, and an improved description of the A state", J CHEM PHYS, 115(3), 2001, pp. 1312-1318

Abstract

The spectrum of CrH has been reinvestigated in the 9000-15 000 cm(-1) region using the Fourier transform spectrometer of the National Solar Observatory. The 1-0 and 1-1 bands of the A (6)Sigma (+)-X (6)Sigma (+) transition have been measured and improved spectroscopic constants have been determined. A value for the 2-0 band origin has been obtained from the band head using estimated spectroscopic constants. These data provide a set of much improved equilibrium vibrational and rotational constants for the A (6)Sigma (+)state. An accurate description of the A-X transition has been obtained using a multireference configuration interaction approach. The inclusion of both scalar relativity and Cr 3s3p correlation are required to obtain a good description of both states. The ab initio computed Einstein coefficients and radiative lifetimes are reported. (C) 2001 American Institute of Physics.

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Documento generato il 11/07/20 alle ore 04:45:04