A theoretical study about the excited state intermolecular proton transfer mechanisms for 2-phenylimidazo[4,5-b]pyridine in methanol solvent-Reference-Cited by-同舟云学术

A theoretical study about the excited state intermolecular proton transfer mechanisms for 2-phenylimidazo[4,5-b]pyridine in methanol solvent

Published:2017 Issue:54 Volume:7 Page:34034-34040
ISSN:2046-2069
Container-title:RSC Advances
language:en
Short-container-title:RSC Adv.

Author:

Yang Dapeng¹²³⁴⁵^ORCID,Zhao Jinfeng⁵⁶⁷⁸⁹,Jia Min¹²³⁴,Song Xiaoyan¹²³⁴

Affiliation:

1. College of Mathematics and Information Science

2. North China University of Water Resources and Electric Power

3. Zhengzhou 450046

4. China

5. State Key Laboratory of Molecular Reaction Dynamics

6. Theoretical and Computational Chemistry

7. Dalian Institute of Chemical Physics

8. Chinese Academy of Sciences

9. Dalian 116023

Abstract

Within the framework of DFT and TDDFT methods, we have investigated the novel system 2-phenylimidazo[4,5-b]pyridine (PIP) with respect to the dynamical behavior of its excited state in methanol (MeOH) solvents.

Funder

National Natural Science Foundation of China

Publisher

Royal Society of Chemistry (RSC)

Subject

General Chemical Engineering,General Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2017/RA/C7RA05976K

Reference61 articles.

1. A Genuine Intramolecular Proton Relay System Undergoing Excited-State Double Proton Transfer Reaction

2. Extensive spectral tuning of the proton transfer emission from 550 to 675 nm via a rational derivatization of 10-hydroxybenzo[h]quinoline

4. Effects of Different-type Intermolecular Hydrogen Bonds on the Geometrical and Spectral Properties of 6-aminocoumarin Clusters in Solution

5. A questionable excited-state double-proton transfer mechanism for 3-hydroxyisoquinoline

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