Journal article

Structure and properties of the Zn -D-2 complex

V Dryza, EJ Bieske

JOURNAL OF CHEMICAL PHYSICS | AMER INST PHYSICS | Published : 2009

Abstract

The infrared spectrum of the (66)Zn(+)-D(2) complex is measured in the D-D stretch region (2815-2866 cm(-1)) by detecting Zn(+) photofragments. The spectrum is consistent with the Zn(+)-D(2) complex consisting of a slightly distorted D(2) molecule attached to a ground state Zn(+) ion in a T-shaped equilibrium configuration. From the rotational constants, the vibrationally averaged intermolecular bond length is deduced to be 2.32 A, contracting by 0.02 A upon excitation of the D-D stretch vibrational mode. The band center of the D-D stretch transition is shifted by -154.8 cm(-1) from the Q(0) (1) transition of the free D(2) molecule. Density functional theory calculations are performed to elu..

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University of Melbourne Researchers