Journal
CHEMICAL PHYSICS LETTERS
Volume 654, Issue -, Pages 119-124Publisher
ELSEVIER SCIENCE BV
DOI: 10.1016/j.cplett.2016.04.073
Keywords
Spectroscopy; Gas phase anions; Photoelectron; Mass spectrometry
Funding
- Australian Postgraduate Award (APA)
- UWA - China Research Training Program
- Faculty of Science [LE110100093]
- School of Chemistry and Biochemistry [LE110100093]
- Australian Research Council [LE110100093]
- Australian Research Council [LE110100093] Funding Source: Australian Research Council
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The gas phase anion photoelectron spectrum of the Cl-center dot center dot center dot N-2 complex is presented, allowing determination of the electron binding energy, and is compared to CCSD(T) calculations. The calculations reveal three stationary points on the neutral complex surface; a linear C-infinity v and two C-2v symmetry geometries. For the anion complex, two geometries are predicted, similar to the C-2v symmetry conformations determined for the neutral. Comparing both computational and experimental results with those from previous work we show trends between anion complex stability and electron stabilisation energy and also the neutral complex stability with respect to the polarisability of the halogen. (C) 2016 Elsevier B.V. All rights reserved.
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