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http://hdl.handle.net/2248/3508| Title: | Theoretical study on the excited states of HCN |
| Authors: | Nayak, M. K Chaudhuri, R. K Krishnamachari, S. N. L. G |
| Keywords: | Ground States Photolysis Hydrogen Compounds Metastable States Triplet State |
| Issue Date: | May-2005 |
| Publisher: | American Institute of Physics |
| Citation: | Journal of Chemical Physics, Vol. 122, No. 18, pp. 184323 |
| Abstract: | In the flash-photolysis of oxazole, iso-oxazole, and thiozole a transient band system was observed in the region 2500–3050 Å. This band system was attributed to a meta-stable form of HCN, i.e., either HNC or triplet HCN. Theoretical investigations have been carried out on the ground and excited states of HCN to characterize this and other experimentally observed transitions. The predicted geometries are compared with the experiment and earlier theoretical calculations. The present calculations show that the band system in the region 2500–3050 Å corresponds to the transition 4 (3)-A (‘)<-1(3)-A(‘)of HCN. |
| URI: | http://hdl.handle.net/2248/3508 |
| ISSN: | 0021-9606 |
| Appears in Collections: | IIAP Publications |
Files in This Item:
| File | Description | Size | Format | |
|---|---|---|---|---|
| Theoretical study on the excited states of HCN | 61.03 kB | Adobe PDF |  View/Open |
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