AM1 study of the twisted intramolecular charge transfer phenomenon in p-(N,N-dimethylamino)benzonitrile
AM1 study of the twisted intramolecular charge transfer phenomenon in p-(N,N-dimethylamino)benzonitrile
| dc.contributor.author | Soujanya, T. | |
| dc.contributor.author | Saroja, G. | |
| dc.contributor.author | Samanta, A. | |
| dc.date.accessioned | 2022-03-27T09:20:00Z | |
| dc.date.available | 2022-03-27T09:20:00Z | |
| dc.date.issued | 1995-04-21 | |
| dc.description.abstract | The twisted intramolecular charge transfer phenomenon in p-(N,N-dimethylamino)benzonitrile has been studied using Austin model 1 (AM1) semi-empirical calculations. A detailed picture of the twisting process is obtained by calculation of the ground and excited state profiles as a function of twist angles. The effect of solvent on the energetics is obtained using Onsager's formulations and the results are compared with experimental and earlier theoretically calculated data. © 1995. | |
| dc.identifier.citation | Chemical Physics Letters. v.236(4-5) | |
| dc.identifier.issn | 00092614 | |
| dc.identifier.uri | 10.1016/0009-2614(95)00248-3 | |
| dc.identifier.uri | https://www.sciencedirect.com/science/article/abs/pii/0009261495002483 | |
| dc.identifier.uri | https://dspace.uohyd.ac.in/handle/1/12766 | |
| dc.title | AM1 study of the twisted intramolecular charge transfer phenomenon in p-(N,N-dimethylamino)benzonitrile | |
| dc.type | Journal. Article | |
| dspace.entity.type |
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