𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Monte Carlo simulation on the intrachain end-to-end charge-transfer interaction on oligosarcosines

✍ Scribed by Masahiko Sisido; Yukio Imanishi

Book ID
102765125
Publisher
Wiley (John Wiley & Sons)
Year
1981
Tongue
English
Weight
584 KB
Volume
20
Category
Article
ISSN
0006-3525

No coin nor oath required. For personal study only.

✦ Synopsis

Abstract

Monte Carlo conformational calculations for oligosarcosines having terminal electron‐donor (D) and ‐acceptor (A) chromophores [A‐(Sar)~n~‐D, n = 2–8] were carried out. The bulkiness of the terminal chromophores, the conformational energies, and the charge‐transfer (CT) interaction energy were taken into account in the calculation. The equilibrium constant for the intramolecular end‐to‐end CT interaction was evaluated, and the result was compared with the experimental data. The alternating chain‐length dependence of the equilibrium constant observed experimentally was reproduced by the simulation and the solvent dependence of the equilibrium constant was also reasonably explained.

📜 SIMILAR VOLUMES

Intrachain end-to-end charge transfer in
Intrachain end-to-end charge transfer interaction in oligosarcosines
✍ Masahiko Sidido; Yoshihiro Kanazawa; Yukio Imanishi 📂 Article 📅 1981 🏛 Wiley (John Wiley & Sons) 🌐 English ⚖ 528 KB

## Abstract Oligosarcosines with two to seven sarcosine units terminated by an electron donor (__p__‐dimethylaminoanilide group) and an electron acceptor (3,5‐dinitrobenzoyl group) were synthesized by a liquid‐ or solid‐phase method. The oligomers showed a distinct charge‐transfer (CT) absorption i