Analysis of the ν7+ν9 and 2ν7−ν9 band complexes of dicyanoacetylene (NC–CC–CN)
| dc.contributor.author | Winther, F. | |
| dc.contributor.author | Horneman, V.-M. | |
| dc.contributor.author | Vigouroux, C. | |
| dc.contributor.author | Fayt, A. | |
| dc.date | 2005 | |
| dc.date.accessioned | 2016-12-07T10:36:06Z | |
| dc.date.available | 2016-12-07T10:36:06Z | |
| dc.identifier.uri | https://orfeo.belnet.be/handle/internal/4635 | |
| dc.description | The very weak ν7+ν9 band complex near 368 cm-1 and the 2ν70-ν9 system near 404 cm-1 in the infrared gas spectrum of dicyanoacetylene (NC-CC-CN) have been analysed. In the ν7+ν9 band system, we have assigned 68 subbands, reaching upper vibrational states with ν7 up to 3 and ν9 up to 8. The 11 subbands of the 2ν70-ν9 system with ν9 up to 7 could be observed because of intensity transfer from the ν3-ν9 band, a result of the strong anharmonic interaction between the ν3 and 2ν70 states. The combined data from the previously studied ν9 band together with the ν7+ν9 and 2ν7-ν9 bands were used for a global rovibrational analysis from which a full set of molecular parameters for the ν7 and ν9 modes has been deduced. A recently developed theory of intensities in such band systems has been applied to the ν7+ν9 band. Examples of intensity calculations illustrate some spectacular effects of the rotational and vibrational ℓ-type resonances on intensities. The observed intensities are in good agreement with the predicted values within the expected J-ranges. | |
| dc.language | eng | |
| dc.title | Analysis of the ν7+ν9 and 2ν7−ν9 band complexes of dicyanoacetylene (NC–CC–CN) | |
| dc.type | Article | |
| dc.subject.frascati | Chemical sciences | |
| dc.audience | Scientific | |
| dc.subject.free | Acetylene | |
| dc.subject.free | Band structure | |
| dc.subject.free | Infrared spectroscopy | |
| dc.subject.free | Molecular dynamics | |
| dc.subject.free | Molecular vibrations | |
| dc.subject.free | Parameter estimation | |
| dc.subject.free | Resonance | |
| dc.subject.free | Band system | |
| dc.subject.free | Dicyanoacetulene | |
| dc.subject.free | Infrared gas spectrum | |
| dc.subject.free | Complexation | |
| dc.source.title | Journal of Molecular Structure | |
| dc.source.volume | 742 | |
| dc.source.issue | 1-3 | |
| dc.source.page | 131-146 | |
| Orfeo.peerreviewed | Yes | |
| dc.identifier.doi | 10.1016/j.molstruc.2005.01.011 | |
| dc.identifier.scopus | 2-s2.0-18144366612 |
