The sub-millimeter and Fourier transform microwave spectrum of HZnCl (X 1Σ+)

Autor: Lucy M. Ziurys, R. L. Pulliam, M. Sun, M. A. Flory
Rok vydání: 2009
Předmět:
Zdroj: Journal of Molecular Spectroscopy. 257:128-132
ISSN: 0022-2852
DOI: 10.1016/j.jms.2009.07.001
Popis: The pure rotational spectrum of HZnCl (X 1 Σ + ) has been recorded using sub-millimeter direct-absorption methods in the range of 439–540 GHz and Fourier transform microwave (FTMW) techniques from 9 to 39 GHz. This species was produced by the reaction of zinc vapor and chlorine gas with H 2 or D 2 in a d.c. glow discharge for the sub-millimeter studies. In the FTMW measurements, HZnCl was created in a discharge nozzle from Cl 2 and (CH 3 ) 2 Zn. Between 5 and 10 rotational transitions were measured in the sub-millimeter regime for four zinc and two chlorine isotopologues; four transitions were recorded with the FTMW machine for the main isotopologue, each consisting of several chlorine hyperfine components. The data are consistent with a linear molecule and a 1 Σ + ground electronic state. Rotational and chlorine quadrupole constants were established from the spectra, as well as an r m (2) structure. The Zn–Cl and Zn–H bond lengths were determined to be 2.0829 and 1.5050 A, respectively; in contrast, the Zn–Cl bond distance in ZnCl is 2.1300 A, longer by ∼0.050 A. The zinc–chlorine bond distance therefore shortens with the addition of the H atom. The 35 Cl electric quadrupole coupling constant of eQq = −27.429 MHz found for HZnCl suggests that this molecule is primarily an ionic species with some covalent character for the Zn–Cl bond.
Databáze: OpenAIRE
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