Singlet‐Triplet Excited‐State Inversion in Heptazine and Related Molecules: Assessment of TD‐DFT and ab initio Methods-Reference-Cited by-同舟云学术

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

Published:2021-02-08 Issue:6 Volume:22 Page:553-560
ISSN:1439-4235
Container-title:ChemPhysChem
language:en
Short-container-title:ChemPhysChem

Author:

Ricci G.¹,San‐Fabián E.²,Olivier Y.¹,Sancho‐García J. C.²

Affiliation:

1. Unité de Chimie Physique Théorique et Structurale & Laboratoire de Physique du Solid Namur Institute of Structured Matter Université de Namur B-5000 Namur Belgium

2. Department of Physical Chemistry University of Alicante E 03080 Alicante Spain

Publisher

Wiley

Subject

Physical and Theoretical Chemistry,Atomic and Molecular Physics, and Optics

Link

https://onlinelibrary.wiley.com/doi/pdf/10.1002/cphc.202000926

Reference77 articles.

1. Synthesis and structure of tri-s-triazine

2. Synthesis and Structure of 2,5,8-Triazido-s-Heptazine: An Energetic and Luminescent Precursor to Nitrogen-Rich Carbon Nitrides

3. Corrugated layered heptazine-based carbon nitride: the lowest energy modifications of C3N4 ground state

4. Room Temperature Synthesis of Heptazine-Based Microporous Polymer Networks as Photocatalysts for Hydrogen Evolution

5. Donor-Acceptor-Type Heptazine-Based Polymer Networks for Photocatalytic Hydrogen Evolution

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