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The anharmonic force field of HCN and HCP

Strey, G. and Mills, I. (1973) The anharmonic force field of HCN and HCP. Journal of Molecular Physics, 26 (1). pp. 129-139. ISSN 0026-8976

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To link to this article DOI: 10.1080/00268977300101441

Abstract/Summary

The quadratic, cubic, and quartic force field of HCN has been calculated by a least squares refinement to fit the most recent observed data on the vibration-rotation constants of HCN, DCN and H13CN. All of the observed parameters are fitted within their standard errors of observation. The corresponding parameters for other isotopic species are calculated. For HCP and DCP the more limited data available have been fitted to an anharmonic force field using constraints based on comparison with HCN. Using this force field the zero-point rotational constants B0 have been corrected to obtain the equilibrium constants Be, and hence the equilibrium structure has been determined to be re(CH) = 1•0692(7)A, and re(CP) = 1•5398(2)A.

Item Type:Article
Refereed:Yes
Divisions:Faculty of Life Sciences > School of Chemistry, Food and Pharmacy > Department of Chemistry
ID Code:7374
Publisher:Taylor and Francis

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