%0 Journal Article %1 doi:10.1080/00268977800101991 %A Creswell, R.A. %A Robiette, A.G. %D 1978 %J Molecular Physics %K chemistry energy potential spectroscopy surface %N 3 %P 869-876 %R 10.1080/00268977800101991 %T On the anharmonic force field and equilibrium structure of HNC %U http://dx.doi.org/10.1080/00268977800101991 %V 36 %X A tentative anharmonic force field, including quadratic, cubic and quartic terms, has been determined for HNC. The force field is based on observed vibration-rotation data for HNC and DNC, a previous ab initio SCF calculation of the quadratic and cubic force constants, and the anharmonic force fields determined earlier for HCN and HCP. Using $\alpha$ constants calculated from the force field, the zero-point rotational constants $B_0$ for the eight stable isotopic species have been converted to $B_e$, and hence an improved equilibrium structure has been derived. The equilibrium bond lengths are found to be $r_e(HN)=0.9940(8)$~\AA\ and $r_e(NC)=1.1689(2)$~\AA.

@article{doi:10.1080/00268977800101991, abstract = {A tentative anharmonic force field, including quadratic, cubic and quartic terms, has been determined for HNC. The force field is based on observed vibration-rotation data for HNC and DNC, a previous ab initio SCF calculation of the quadratic and cubic force constants, and the anharmonic force fields determined earlier for HCN and HCP. Using $\alpha$ constants calculated from the force field, the zero-point rotational constants $B_0$ for the eight stable isotopic species have been converted to $B_e$, and hence an improved equilibrium structure has been derived. The equilibrium bond lengths are found to be $r_e(\ce{HN})=0.9940(8)$~\AA\ and $r_e(\ce{NC})=1.1689(2)$~\AA.}, added-at = {2015-02-02T18:06:24.000+0100}, author = {Creswell, R.A. and Robiette, A.G.}, biburl = {https://www.bibsonomy.org/bibtex/29d1d427b443358a8d7bb076a2ea8f0f3/drmatusek}, doi = {10.1080/00268977800101991}, eprint = {http://dx.doi.org/10.1080/00268977800101991}, interhash = {9b168612d76347513494bb626c3319e6}, intrahash = {9d1d427b443358a8d7bb076a2ea8f0f3}, journal = {Molecular Physics}, keywords = {chemistry energy potential spectroscopy surface}, month = sep, number = 3, pages = {869-876}, timestamp = {2015-02-02T18:06:24.000+0100}, title = {On the anharmonic force field and equilibrium structure of HNC}, url = {http://dx.doi.org/10.1080/00268977800101991 }, volume = 36, year = 1978 }