Capturing the interplay between spin–orbit coupling and non-Condon effects on the photoabsorption spectra of Ru and Os dyes
Author:
Affiliation:
1. Department of Chemistry
2. University of Sheffield
3. Sheffield
4. UK
5. School of Natural and Environmental Sciences
6. School of Chemistry
7. University of Birmingham
8. Birmingham B15 2TT
9. Durham University
10. Durham DH1 3LE
Abstract
A theoretical protocol developed to study the low-energy tail of the absorption spectrum of homoleptic biscyclometalated ruthenium and osmium complexes.
Publisher
Royal Society of Chemistry (RSC)
Subject
Materials Chemistry,General Chemistry
Link
http://pubs.rsc.org/en/content/articlepdf/2019/TC/C8TC06403B
Reference57 articles.
1. Modeling Solvent Effects on Electronic Excited States
2. Modeling absorption and fluorescence solvatochromism with QM/Classical approaches
3. Modeling absorption spectra of molecules in solution
4. The semiclassical way to molecular spectroscopy
5. On-the-Fly Ab Initio Semiclassical Evaluation of Absorption Spectra of Polyatomic Molecules beyond the Condon Approximation
Cited by 2 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. Calculating Photoabsorption Cross-Sections for Atmospheric Volatile Organic Compounds;ACS Earth and Space Chemistry;2021-12-17
2. The importance of finite temperature and vibrational sampling in the absorption spectrum of a nitro-functionalized Ru(ii) water oxidation catalyst;Physical Chemistry Chemical Physics;2021
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