The effects of the heteroatom and position on excited-state intramolecular proton transfer of new hydroxyphenyl benzoxazole derivatives: a time-dependent density functional theory study
Author:
Affiliation:
1. School of Electrical Engineering
2. University of South China
3. Hengyang 421001
4. China
5. State Key Lab of Molecular Reaction Dynamics
6. Institute of Molecular Sciences and Engineering
7. Shandong University
8. Qingdao 266235
9. P. R. China
Abstract
The effects of the heteroatom and position on excited-state intramolecular proton transfer (ESIPT) of 2-[4′-(N-4,6-dichloro-1,3,5-triazi-n-2-yl)2′hydroxyphenyl]benzoxazole (4THBO) have been investigated via time-dependent density functional theory studies.
Funder
National Natural Science Foundation of China
Natural Science Foundation of Hunan Province
Publisher
Royal Society of Chemistry (RSC)
Subject
Organic Chemistry
Link
http://pubs.rsc.org/en/content/articlepdf/2019/QO/C9QO00295B
Reference77 articles.
1. A molecular photoionic AND gate based on fluorescent signalling
2. Signaling Recognition Events with Fluorescent Sensors and Switches
3. G. R. Desiraju and T.Steiner , The Weak Hydrogen Bond , Oxford University Press , Oxford, UK , 1999
4. Hydrogen Bonding in the Active Site of Ketosteroid Isomerase: Electronic Inductive Effects and Hydrogen Bond Coupling
5. Macro-/micro-environment-sensitive chemosensing and biological imaging
Cited by 17 articles. 订阅此论文施引文献 订阅此论文施引文献,注册后可以免费订阅5篇论文的施引文献,订阅后可以查看论文全部施引文献
1. Role of explicit hydrogen bonding in solvation calculation on the photophysics of 2-(2′-Hydroxyphenyl)oxazolo[4,5-b]pyridine;Journal of Molecular Liquids;2024-01
2. Atomic electronegativity-dependent intramolecular hydrogen bond and fluorescence characteristics of novel scaffold-based fluorophore: a TD-DFT study;Photochemical & Photobiological Sciences;2023-10-07
3. Regulating excited‐state intramolecular proton transfer behavior and fluorescent property of 3‐thiolflavone by electron‐donating ability: A time‐dependent density functional theory study;Journal of the Chinese Chemical Society;2023-07-23
4. Heteroatom substitution controlled luminescent property and excited state intramolecular proton transfer (ESIPT) process of novel benzothiazole-based fluorophore: A TD-DFT investigation;Journal of Molecular Structure;2023-06
5. The two-pronged approach of heteroatoms and substituents to achieve a synergistic regulation of the ESIPT process in amino 2-(2′-hydroxyphenyl)benzoxazole derivatives;Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy;2023-04
1.学者识别学者识别
2.学术分析学术分析
3.人才评估人才评估
"同舟云学术"是以全球学者为主线,采集、加工和组织学术论文而形成的新型学术文献查询和分析系统,可以对全球学者进行文献检索和人才价值评估。用户可以通过关注某些学科领域的顶尖人物而持续追踪该领域的学科进展和研究前沿。经过近期的数据扩容,当前同舟云学术共收录了国内外主流学术期刊6万余种,收集的期刊论文及会议论文总量共计约1.5亿篇,并以每天添加12000余篇中外论文的速度递增。我们也可以为用户提供个性化、定制化的学者数据。欢迎来电咨询!咨询电话:010-8811{复制后删除}0370
www.globalauthorid.com
TOP
Copyright © 2019-2024 北京同舟云网络信息技术有限公司 京公网安备11010802033243号 京ICP备18003416号-3