Rotationally resolved infrared spectrum of the Na-D2 complex: An experimental and theoretical study

BLJ Poad; V Dryza; J Kłos; AA Buchachenko; EJ Bieske

Journal article

Rotationally resolved infrared spectrum of the Na-D2 complex: An experimental and theoretical study

BLJ Poad, V Dryza, J Kłos, AA Buchachenko, EJ Bieske

Journal of Chemical Physics | AMER INST PHYSICS | Published : 2011

DOI: 10.1063/1.3596720

Abstract

The infrared spectrum of mass-selected Na+-D2 complexes is recorded in the D-D stretch vibration region (2915-2972 cm -1) by detecting Na+ photofragments resulting from photo-excitation of the complexes. Analysis of the rotationally resolved spectrum confirms a T-shaped equilibrium geometry for the complex and a vibrationally averaged intermolecular bond length of 2.461 Å. The D-D stretch band centre occurs at 2944.04 cm-1, representing a -49.6 cm-1 shift from the Q1(0) transition of the free D 2 molecule. Variational rovibrational energy level calculations are performed for Na+-D2 utilising an ab initio potential energy surface developed previously for investigating the Na+-H 2 complex [B. ..

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University of Melbourne Researchers

Evan Bieske Author

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Grants

Awarded by National Science Foundation

Funding Acknowledgements

V.D. and E.J.B. are grateful to the Australian Research Council for financial support through DP0986980 and DP0877470. A.A.B. thanks the Moscow State University for support. J.K. acknowledges financial support through the (U.S.) National Science Foundation (NSF) Grant No. CHE-0848110 to Millard Alexander.