## Abstract Density functional theory calculations are performed to study the (hyper)polarizabilities of a series of planar and twisted intramolecular charge transfer molecules (tictoids) with different electron‐donating and electron‐withdrawing groups. Both similarity and difference between the pl
Theoretical Study of the Twisted Intramolecular Charge Transfer in 1-Phenylpyrrole
✍ Scribed by Proppe, Boris; Merchán, Manuela; Serrano-Andrés, Luis
- Book ID
- 125930630
- Publisher
- American Chemical Society
- Year
- 2000
- Tongue
- English
- Weight
- 159 KB
- Volume
- 104
- Category
- Article
- ISSN
- 1089-5639
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To characterize the intramolecular charge-transfer process of DMABN, pica-and nanosecond measurements in different polar solutions and at various temperatures were undertaken. Evidence of (i) timedependent interconversion ntesdescribithe formation of the charg%ransfer state and (ii) fluorescence sol
The twisted intramolecular charge transfer phenomenon in p-(N,N-dimethylamino)benzonitrile has been studied using Austin model 1 (AMI) 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 an