p-Dimethylaminobenzonitrile in polar solution. L Time-dependent rate in intramolecular electron transfer reaction

Monte Carlo simulation study on energy-g

Monte Carlo simulation study on energy-gap dependence of electron-transfer reactions in polar solution: Effect of electronic polarizability of solvent

✍ Yoshitaka Enomoto; Toshiaki Kakitani; Akira Yoshimori; Yasuyo Hatano 📂 Article 📅 1991 🏛 Elsevier Science 🌐 English ⚖ 444 KB

We conducted Monte Carlo simulations of polar solutions by explicitly treating the effect of electronic polarizability of solvent molecules. Based on these data, we calculated the energy-gap dependence of electron-transfer rates. It was found that a considerable asymmetry of the energy-gap dependenc