Multi-isotopologue analyses of new vibration-rotation and pure rotation spectra of ZnH and CdH

TY - JOUR

T1 - Multi-isotopologue analyses of new vibration-rotation and pure rotation spectra of ZnH and CdH

AU - Shayesteh, A

AU - Le Roy, R J

AU - Varberg, T D

AU - Bernath, P F

PY - 2006/5

Y1 - 2006/5

N2 - High resolution infrared emission spectra of ZnH, ZnD, CdH, and CdD have been recorded with a Fourier transform spectrometer. The v = 1 --> 0 and v = 2 --> 1 bands of ZnH, ZnD, CdH, and CdD, as well as the v = 3 --> 2 hand of ZnD were observed for the X-2 Sigma(+) ground electronic state. In addition, new rotational spectra have been recorded for CdH and CdD using a tunable far-infrared spectrometer, and pure rotational transitions in the v = 1 level of the ground state were measured. The new data were combined with the previous data from diode laser infrared spectra and pure rotation spectra of ZnH/ZnD and CdH/CdD available in the literature. The data from all isotopologues were fitted together using a Dunham-type energy level expression for (2)Sigma(+) states, and Born-Oppenheimer breakdown correction parameters were obtained. The equilibrium rotational constants (B-c) or (ZnH)-Zn-64, (ZnD)-Zn-64, (CdH)-Cd-114, and (CdD)-Cd-114 were determined to be 6.691332(17). 3.402156(7). 5.447074(18), and 2.750761(6) cm(-1), respectively, and the associated equilibrium internuclear distances (r(c)) are 1.593478(2). 1.593001(2). 1.760098(3), and 1.759695(2) angstrom, respectively. Simple reduced mass scaling for the spin-rotation interaction constants of ZnH and CdH fully accounted for their isotopologue dependence, and no Born-Oppenheimer breakdown correction was required for these parameters. (C) 2006 Elsevier Inc. All rights reserved.

AB - High resolution infrared emission spectra of ZnH, ZnD, CdH, and CdD have been recorded with a Fourier transform spectrometer. The v = 1 --> 0 and v = 2 --> 1 bands of ZnH, ZnD, CdH, and CdD, as well as the v = 3 --> 2 hand of ZnD were observed for the X-2 Sigma(+) ground electronic state. In addition, new rotational spectra have been recorded for CdH and CdD using a tunable far-infrared spectrometer, and pure rotational transitions in the v = 1 level of the ground state were measured. The new data were combined with the previous data from diode laser infrared spectra and pure rotation spectra of ZnH/ZnD and CdH/CdD available in the literature. The data from all isotopologues were fitted together using a Dunham-type energy level expression for (2)Sigma(+) states, and Born-Oppenheimer breakdown correction parameters were obtained. The equilibrium rotational constants (B-c) or (ZnH)-Zn-64, (ZnD)-Zn-64, (CdH)-Cd-114, and (CdD)-Cd-114 were determined to be 6.691332(17). 3.402156(7). 5.447074(18), and 2.750761(6) cm(-1), respectively, and the associated equilibrium internuclear distances (r(c)) are 1.593478(2). 1.593001(2). 1.760098(3), and 1.759695(2) angstrom, respectively. Simple reduced mass scaling for the spin-rotation interaction constants of ZnH and CdH fully accounted for their isotopologue dependence, and no Born-Oppenheimer breakdown correction was required for these parameters. (C) 2006 Elsevier Inc. All rights reserved.

KW - ZnH

KW - CdH

KW - ZnD

KW - CdD

KW - vibration-rotation spectra

KW - pure rotation spectra

KW - multi-isotopologue fitting

KW - Dunham constants

KW - Born-Oppenheimer breakdown

KW - INFRARED-EMISSION SPECTRA

KW - TRANSITION-METAL HYDRIDES

KW - DIATOMIC-MOLECULES

KW - BAND SPECTRA

KW - DUNHAM COEFFICIENTS

KW - HYPERFINE-STRUCTURE

KW - CADMIUM HYDRIDE

KW - ZINC DEUTERIDE

KW - HGH MOLECULES

KW - GROUND-STATE

U2 - 10.1016/j.jms.2006.03.004

DO - 10.1016/j.jms.2006.03.004

M3 - Article

SN - 0022-2852

VL - 237

SP - 87

EP - 96

JO - JOURNAL OF MOLECULAR SPECTROSCOPY

JF - JOURNAL OF MOLECULAR SPECTROSCOPY

IS - 1

ER -