The vibrational structure of the NO2 cation
β Scribed by Gregg Bryant; Yanan Jiang; Edward Grant
- Publisher
- Elsevier Science
- Year
- 1992
- Tongue
- English
- Weight
- 593 KB
- Volume
- 200
- Category
- Article
- ISSN
- 0009-2614
No coin nor oath required. For personal study only.
β¦ Synopsis
Zero kinetic energy photoelectron spectroscopy is combined with triple-resonant multiphoton absorption to obtain the first experimental measurement of the fundamental vibrational frequencica of isolated NOtI Analysis of observed vibrational structure yields values for the quadratic force constants in both normal coordinate space as well as internal symmetry coordinates. Results are compared with recent ab initio calculations of Lee, with excellent agreement between the two. We obtain values for the fundamental frequencies of 1396.8 k 1 .O. 639.0 L 1 .O, and 2362.0 f 1 .O cm-' for the symmetric, bending, and asymmetric vibrations, respectively.
π SIMILAR VOLUMES
The equilibrium bond distance, vibrational frequencies, infrared intensities, and potential energy force constants (through quartic force constants) have been determined for the molecular cation NO:. Very large atomic natural orbital (ANO) oneparticle basis sets have been used in conjunction with th
The geometry of NHzNO has been optimised at the HF level of theory with basis sets ranging from STO-3G to 6-3 I 1 G\*\*. The lowest-energy structure is not planar as previously predicted. The geometry of NHzNO was optimised at the MP2/6-3 lG\*\* level of theory. The geometry of the planar structure