Published May 8, 2005
| Version v1
Journal article
Theoretical study on the excited states of HCN
- 1. Bhabha Atomic Research Centre, Mumbai (India)
- 2. Indian Institute of Astrophysics, Bangalore-560034 (India)
Description
In the flash-photolysis of oxazole, iso-oxazole, and thiozole a transient band system was observed in the region 2500-3050 A. 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 A corresponds to the transition 4 3-A'<-1 3-A' of HCN
Additional details
Identifiers
- DOI
- 10.1063/1.1895669;
Publishing Information
- Journal Title
- Journal of Chemical Physics
- Journal Volume
- 122
- Journal Issue
- 18
- Journal Page Range
- p. 184323-184323.4
- ISSN
- 0021-9606
- CODEN
- JCPSA6
INIS
- Country of Publication
- United States
- Country of Input or Organization
- International Atomic Energy Agency (IAEA)
- INIS RN
- 37034734
- Subject category
- S74: ATOMIC AND MOLECULAR PHYSICS; S37: INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY;
- Descriptors DEI
- GROUND STATES; HYDROCYANIC ACID; METASTABLE STATES; OXAZOLES; PHOTOLYSIS; TRIPLETS
- Descriptors DEC
- AZOLES; CHEMICAL REACTIONS; DECOMPOSITION; ENERGY LEVELS; EXCITED STATES; HETEROCYCLIC COMPOUNDS; HYDROGEN COMPOUNDS; INORGANIC ACIDS; INORGANIC COMPOUNDS; MULTIPLETS; ORGANIC COMPOUNDS; ORGANIC NITROGEN COMPOUNDS; ORGANIC OXYGEN COMPOUNDS; PHOTOCHEMICAL REACTIONS
Optional Information
- Notes
- (c) 2005 American Institute of Physics