| Autor: |
Lichau, H., Ross, S. C., Lock, M., Albert, S., Winnewisser, B. P., Winnewisser, M., Lucia, F. C. De |
| Zdroj: |
The Journal of Physical Chemistry - Part A; November 2001, Vol. 105 Issue: 44 p10080-10088, 9p |
| Abstrakt: |
The low-lying CCN bending mode of cyanofulminate, NCCNO, was characterized by rotational spectroscopy in the millimeter-wave and submillimeter-wave range as well as by rovibrational spectroscopy in the far-infrared range. The spectra exhibit the gross features of a linear molecule. However, a closer qualitative analysis regarding the low-lying CCN bending mode revealed significant deviations from a harmonic bending mode that is normally found in a linear molecule. This result was confirmed by a quantitative analysis of the combined data with an effective Hamiltonian for a linear molecule. In linear molecule notation, the term value of the first excited state ν7 is 80.524 182 (10) cm-1, and the term values for the l7 = 0 and l7 = 2 levels of the second excited state 2ν7 are 166.118 254 (16) and 164.604 243 (22) cm-1. A semirigid bender analysis of our data, including rotational transitions of the isotopomers 15NCCNO, N13CCNO, NCC15NO, and NCCN18O observed in natural abundance, yielded a considerable quartic contribution to the effective CCN bending potential function V(ρ)/cm-1 = 747.40 (81) × (ρ/rad)2 + 959.2 (24) × (ρ/rad)4. |
| Databáze: |
Supplemental Index |
| Externí odkaz: |
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