Issue 27, 2016

Intermolecular electron transfer states of 1-methyl-3-(N-(1,8-naphthalimidyl)ethyl)imidazolium iodide obtained by constrained density functional theory

Abstract

Electron transfer (ET) states of 1-methyl-3-(N-(1,8-naphthalimidyl)ethyl)imidazolium iodide are responsible for its photophysics. Investigation of an ET state based on constrained density functional theory (CDFT) revealed that nonradiative decay from the ET excited state is mediated by the interaction of the iodine atom with the 1,8-naphthalimide or the imidazolium group.

Graphical abstract: Intermolecular electron transfer states of 1-methyl-3-(N-(1,8-naphthalimidyl)ethyl)imidazolium iodide obtained by constrained density functional theory

Supplementary files

Article information

Article type
Communication
Submitted
19 apr. 2016
Accepted
17 maí 2016
First published
17 maí 2016

Phys. Chem. Chem. Phys., 2016,18, 17795-17798

Intermolecular electron transfer states of 1-methyl-3-(N-(1,8-naphthalimidyl)ethyl)imidazolium iodide obtained by constrained density functional theory

T. Otsuka, M. Sumita, H. Izawa and K. Morihashi, Phys. Chem. Chem. Phys., 2016, 18, 17795 DOI: 10.1039/C6CP02602H

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