Quantum mechanics/molecular mechanics studies on mechanistic photophysics of cytosine aza-analogues: 2,4-diamino-1,3,5-triazine and 2-amino-1,3,5-triazine in aqueous solution-Reference-Cited by-同舟云学术

Quantum mechanics/molecular mechanics studies on mechanistic photophysics of cytosine aza-analogues: 2,4-diamino-1,3,5-triazine and 2-amino-1,3,5-triazine in aqueous solution

Published:2023 Issue:11 Volume:25 Page:7669-7680
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Chang Xue-Ping¹^ORCID,Zhao Geng¹,Zhang Teng-Shuo²,Xie Bin-Bin³

Affiliation:

1. College of Chemistry and Chemical Engineering, Xinyang Normal University, Xinyang 464000, China

2. College of Chemical Engineering, Zhejiang University of Technology, Hangzhou 310014, China

3. Hangzhou Institute of Advanced Studies, Zhejiang Normal University, Hangzhou 311231, China

Abstract

The excited-state properties and photophysics of cytosine aza-analogues, i.e., 2,4-diamino-1,3,5-triazine (2,4-DT) and 2-amino-1,3,5-triazine (2-AT) in solution have been systematically explored using the QM(MS-CASPT2//CASSCF)/MM approach.

Funder

National Natural Science Foundation of China

Nanhu Scholars Program for Young Scholars of Xinyang Normal University

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2023/CP/D2CP05639A

Reference79 articles.

1. Molecular Structure of Nucleic Acids: A Structure for Deoxyribose Nucleic Acid

2. Ultrafast Excited-State Dynamics in Nucleic Acids

3. Early Events of DNA Photodamage

4. Electronic Spectra, Excited State Structures and Interactions of Nucleic Acid Bases and Base Assemblies: A Review

5. How nature covers its bases

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