Precise Regulation on the Bond Dissociation Energy of Exocyclic C–N Bonds in Various N-Heterocycle Electron Donors via Machine Learning-Reference-Cited by-同舟云学术

Precise Regulation on the Bond Dissociation Energy of Exocyclic C–N Bonds in Various N-Heterocycle Electron Donors via Machine Learning

Published:2024-04-16 Issue:16 Volume:15 Page:4422-4429
ISSN:1948-7185
Container-title:The Journal of Physical Chemistry Letters
language:en
Short-container-title:J. Phys. Chem. Lett.

Author:

Meng Qing-Yu¹,Wang Rui¹,Shao Hao-Yun¹,Wang Yi-Lei²,Wen Xue-Liang¹,Yao Cheng-Yu¹,Qiao Juan¹³^ORCID

Affiliation:

1. Key Laboratory of Organic Optoelectronics and Molecular Engineering of Ministry of Education, Department of Chemistry, Tsinghua University, Beijing 100084, People’s Republic of China

2. Department of Chemistry, Tsinghua University, Beijing 100084, People’s Republic of China

3. Laboratory for Flexible Electronics Technology, Tsinghua University, Beijing 100084, People’s Republic of China

Funder

National Key Research and Development Program of China

National Natural Science Foundation of China

Publisher

American Chemical Society (ACS)

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jpclett.4c00705

Reference59 articles.

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3. Comprehensive Handbook of Chemical Bond Energies

4. Highly efficient phosphorescent emission from organic electroluminescent devices

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