Heptazine, Cyclazine, and Related Compounds: Chemically-Accurate Estimates of the Inverted Singlet–Triplet Gap-Reference-Cited by-同舟云学术

登录注册会员服务联系我们

Heptazine, Cyclazine, and Related Compounds: Chemically-Accurate Estimates of the Inverted Singlet–Triplet Gap

Published:2023-12-04 Issue:49 Volume:14 Page:11069-11075
ISSN:1948-7185
Container-title:The Journal of Physical Chemistry Letters
language:en
Short-container-title:J. Phys. Chem. Lett.

Author:

Loos Pierre-François¹^ORCID,Lipparini Filippo²^ORCID,Jacquemin Denis³⁴^ORCID

Affiliation:

1. Laboratoire de Chimie et Physique Quantiques, Université de Toulouse, CNRS, UPS, 31400 Toulouse, France

2. Dipartimento di Chimica e Chimica Industriale, University of Pisa, Via Moruzzi 3, 56124 Pisa, Italy

3. Nantes Université, CNRS, CEISAM UMR 6230, F-44000 Nantes, France

4. Institut Universitaire de France, 75005 Paris, France

Funder

H2020 European Research Council

Publisher

American Chemical Society (ACS)

Subject

General Materials Science,Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jpclett.3c03042

Reference49 articles.

1. Singlet–Triplet Inversion in Heptazine and in Polymeric Carbon Nitrides

2. Inverted Singlet–Triplet Gaps and Their Relevance to Thermally Activated Delayed Fluorescence

3. Singlet‐Triplet Excited‐State Inversion in Heptazine and Related Molecules: Assessment of TD‐DFT and ab initio Methods

4. Organic molecules with inverted gaps between first excited singlet and triplet states and appreciable fluorescence rates

5. Large Inverted Singlet–Triplet Energy Gaps Are Not Always Favorable for Triplet Harvesting: Vibronic Coupling Drives the (Reverse) Intersystem Crossing in Heptazine Derivatives

Cited by 14 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. Singlet–Triplet Inversion in Triangular Boron Carbon Nitrides;Journal of Chemical Theory and Computation;2024-09-12

2. Reference CC3 Excitation Energies for Organic Chromophores: Benchmarking TD-DFT, BSE/GW, and Wave Function Methods;Journal of Chemical Theory and Computation;2024-09-05

3. ΔDFT Predicts Inverted Singlet–Triplet Gaps with Chemical Accuracy at a Fraction of the Cost of Wave Function-Based Approaches;The Journal of Physical Chemistry Letters;2024-07-31

4. Reverse Intersystem Crossing Dynamics in Vibronically Modulated Inverted Singlet–Triplet Gap System: A Wigner Phase Space Study;The Journal of Physical Chemistry Letters;2024-07-19

5. Reference Energies for Double Excitations: Improvement and Extension;Journal of Chemical Theory and Computation;2024-06-17

同舟云学术

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