Long-range dispersion C 6 coefficient for SF 6 dimer: Experimental and theoretical study

The long-range dispersion C coefficient for the SF dimer is experimentally measured using a technique that uses the expansion of a supersonic pulse jet into a vacuum. A dynamic model of the jet enables us to correlate the position of the maximal peak in the time-of-flight spectrum with the initial c...

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Bibliographic Details
Published in:The Journal of chemical physics 2018-09, Vol.149 (12), p.124302
Main Authors: Tatarenko, Kira A, Lazarev, Alexander V, Bokhan, Denis, Trubnikov, Dmitrii N, Perera, Ajith
Format: Article
Language:English
Online Access:Get full text
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Summary:The long-range dispersion C coefficient for the SF dimer is experimentally measured using a technique that uses the expansion of a supersonic pulse jet into a vacuum. A dynamic model of the jet enables us to correlate the position of the maximal peak in the time-of-flight spectrum with the initial conditions of the experiment and the parameters of the intermolecular interaction potential. Due to the low temperature of the jet target, the C coefficient can be extracted directly from the experimental results. Theoretical calculation of the C dispersion coefficient is also performed by using linearly approximated explicitly correlated coupled-cluster singles and doubles (CCSD(F12)) method with the subsequent utilization of the Casimir-Polder formula. Good agreement of experimental and theoretical results confirms the reliability of results.
ISSN:1089-7690
DOI:10.1063/1.5049891