TY - JOUR
T1 - The pure rotational spectrum of ZnCl (X2Σ+)
T2 - Variations in zinc halide bonding
AU - Tenenbaum, E. D.
AU - Flory, M. A.
AU - Pulliam, R. L.
AU - Ziurys, L. M.
N1 - Funding Information:
This work was supported by NSF Grant No. CHE 04-11551. The authors thank Prof. J.M. Brown for use of his fitting code. E.D.T. acknowledges financial support from the National Science Foundation Graduate Research Fellowship Program.
PY - 2007/8
Y1 - 2007/8
N2 - The radical ZnCl (X2Σ+) has been studied using millimeter-wave direct-absorption techniques. Pure rotational spectra of 67Zn35Cl, 66Zn37Cl, 68Zn35Cl, 64Zn35Cl, 64Zn37Cl, and 66Zn35Cl were measured in the vibrational ground state and data were also recorded for the latter three in the v = 1 and v = 2 states. Every rotational transition was found to be split into a doublet due to spin-rotation interactions. For 67Zn35Cl, each doublet exhibited additional splittings arising from hyperfine coupling of the 67Zn (I = 5/2) nucleus. Rotational, fine structure, and hyperfine constants have been determined from these data, and equilibrium parameters calculated. The equilibrium bond length of 64Zn35Cl is found to be 2.13003305(24) Å, in good agreement with recent theoretical predictions. Interpretation of hyperfine constants indicates that the 12σ orbital is ∼70% Zn(4s) in character, suggesting that the zinc chloride bond is relatively ionic.
AB - The radical ZnCl (X2Σ+) has been studied using millimeter-wave direct-absorption techniques. Pure rotational spectra of 67Zn35Cl, 66Zn37Cl, 68Zn35Cl, 64Zn35Cl, 64Zn37Cl, and 66Zn35Cl were measured in the vibrational ground state and data were also recorded for the latter three in the v = 1 and v = 2 states. Every rotational transition was found to be split into a doublet due to spin-rotation interactions. For 67Zn35Cl, each doublet exhibited additional splittings arising from hyperfine coupling of the 67Zn (I = 5/2) nucleus. Rotational, fine structure, and hyperfine constants have been determined from these data, and equilibrium parameters calculated. The equilibrium bond length of 64Zn35Cl is found to be 2.13003305(24) Å, in good agreement with recent theoretical predictions. Interpretation of hyperfine constants indicates that the 12σ orbital is ∼70% Zn(4s) in character, suggesting that the zinc chloride bond is relatively ionic.
KW - Hyperfine structure
KW - Microwave spectroscopy
KW - Rotational spectroscopy
KW - Zinc chloride (ZnCl)
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U2 - 10.1016/j.jms.2007.05.011
DO - 10.1016/j.jms.2007.05.011
M3 - Article
AN - SCOPUS:34547892680
SN - 0022-2852
VL - 244
SP - 153
EP - 159
JO - Journal of Molecular Spectroscopy
JF - Journal of Molecular Spectroscopy
IS - 2
ER -