The rotational spectrum, geometry, and intermolecular force constant of the heterodimer of hydrogen cyanide and fluoroform
作者： Elizabeth J. Goodwin , A. C. Legon
DOI: 10.1063/1.450406
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摘要: The ground‐state rotational spectra of six isotopic species an intermolecular complex formed by hydrogen cyanide and fluoroform have been measured using the pulsed‐nozzle, Fourier‐transform microwave technique. constant B0, centrifugal distortion constants DJ,DJK,HJ, HJK, HKJ, and, where appropriate, nuclear quadrupole coupling χ(14N) χ(D) determined for each HC14N⋅⋅⋅HCF3, DC14N⋅⋅⋅HCF3, HC14⋅⋅⋅DCF3, HC15N⋅⋅⋅HCF3, HC15N⋅⋅⋅DCF3, DC15N⋅⋅⋅HCF3. For HC14N⋅⋅⋅HCF3 values are as follows: B0=1151.2991(4) MHz, DJ=1.91(1) kHz, DJK=282.75(6) HJ=−0.1(1) Hz, HJK=44.3(5) HKJ=53(5) χ(14N)=3.948(8) MHz. form magnitudes allow conclusion that geometry is C3V symmetry with nuclei in order HCN⋅⋅⋅HCF3 lead to r(N⋅⋅⋅C)=3.489(2) A HCF3 but 3.483(1) DCF3 species. stretching force from DJ kσ=3.52 N m−1.
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