A CNDO/S study of trans-indanylideneindane. Implications to the trans-stilbene electronic structure
β Scribed by Michael Klein; Volker Buss
- Publisher
- Elsevier Science
- Year
- 1986
- Tongue
- English
- Weight
- 423 KB
- Volume
- 124
- Category
- Article
- ISSN
- 0009-2614
No coin nor oath required. For personal study only.
β¦ Synopsis
CNDO calculations have been performed on chiral derivatives of tram-1-(indan-l-ylidene)-indane. a stiff tram-stilbene analogue. The results are in complete agreement with the recently published UV and CD spectra of these compounds and allow state assignments down to 225 nm. The calculations are relevant to the trans-stilbene electronic structure which is under current dispute.
π SIMILAR VOLUMES
The ESR spectra of radical cations of cis-and trans-deealin have been recorded in different halocarbon matrices within the temperature range 4.2 IO 130 K. The ground-state structures of both isomers have been calculated using the UHF/MNDO technique and found to be 'As or ZB, for transdecalin+ and 'A