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XU WANG, JUNG SUP LEE, DONG-SHENG YANG, Department of Chemistry, University of Kentucky, Lexington, KY 40605-0055.
The copper complexes of pyrazine (1,4-C4H4N2), pyrimidine (1,3-C4H4N2), and pyridazine (1,2-C4H4N2) are produced in laser-vaporization supersonic molecular beams and studied with pulsed field ionization zero electron kinetic energy spectroscopy and ab initio calculations. Adiabatic ionization energies of Cu-pyrazine, -pyrimidine and -pyridazine are measured to be 46038(7), 45332(7) and 43054(6) cm-1, respectively. The metal-ligand stretching frequencies of Cu+/Cu-pyrazine, -pyrimidine, and -pyrazine are 265/190, 270/189, and 273/192 cm-1, and the metal-ligand bending frequencies of these complexes are 115/74, 161/151, and 131/123 cm-1, respectively. In addition, a symmetric ring stretch of 906 cm-1 is observed for the Cu+-pyrazine ion. In all three complexes, Cu binds with one nitrogen atom and is located in the same plane as the ligand ring.