The position of the N atom in the pentacyclic ring of heterocyclic molecules affects the excited-state decay: A case study of isothiazole and thiazole

2018 ◽  
Vol 1172 ◽  
pp. 17-24 ◽  
Author(s):  
Jun Cao
Keyword(s):  
Excited State ◽  
Heterocyclic Molecules ◽  
State Decay

Modulating the Excited-State Decay Pathways of Cu(I) 4H-Imidazolate Complexes by Excitation Wavelength and Ligand Backbone

2021 ◽  
Author(s):  
Bianca Seidler ◽  
Maria Sittig ◽  
Clara Zens ◽  
Jens H. Tran ◽  
Carolin Müller ◽  
...  
Keyword(s):  
Excited State ◽  
Excitation Wavelength ◽  
State Decay

Excited State Decay Dynamics in 3‐Formyl‐4‐hydroxy Benzoic Acid: Understanding the Global Picture of an ESIPT‐Driven Multiple‐Emissive Species

2019 ◽  
Vol 4 (22) ◽  
pp. 6702-6712
Author(s):  
Mostofa Ataur Rohman ◽  
Dipankar Sutradhar ◽  
Prakriti Ranjan Bangal ◽  
Asit K. Chandra ◽  
Sivaprasad Mitra
Keyword(s):  
Excited State ◽  
Benzoic Acid ◽  
State Decay

Oriented Internal Electrostatic Fields Cooperatively Promote Ground- and Excited-State Reactivity: A Case Study in Photochemical CO2 Capture

2019 ◽  
Vol 142 (1) ◽  
pp. 606-613 ◽  
Author(s):  
Mitchell T. Blyth ◽  
Benjamin B. Noble ◽  
Isabella C. Russell ◽  
Michelle L. Coote
Keyword(s):  
Excited State ◽  
Co2 Capture ◽  
Electrostatic Fields

scholarly journals Absorption, fluorescence, Raman spectroscopic and density functional theoretical studies on the singlet and triplet excited state decay of 3-amino-5-mercapto-1,2,4-triazole

RSC Advances ◽  
2020 ◽  
Vol 10 (23) ◽  
pp. 13442-13450
Author(s):  
Aimin Duan ◽  
Suosuo An ◽  
Jiadan Xue ◽  
Xuming Zheng ◽  
Yanying Zhao
Keyword(s):  
Biological Sciences ◽  
Excited State ◽  
Heterocyclic Compounds ◽  
Density Functional ◽  
Decay Process ◽  
Theoretical Studies ◽  
Triplet Excited State ◽  
Raman Spectroscopic ◽  
State Decay

The excited state decay process of N-heterocyclic compounds is attracting increasing attention due to their fundamental applications in pharmaceutical and biological sciences.

scholarly journals Ultrafast and radiationless electronic excited state decay of uracil and thymine cations: computing the effects of dynamic electron correlation

2019 ◽  
Vol 21 (26) ◽  
pp. 14322-14330 ◽  
Author(s):  
Javier Segarra-Martí ◽  
Thierry Tran ◽  
Michael J. Bearpark
Keyword(s):  
Excited State ◽  
Excited States ◽  
Electron Correlation ◽  
Electronic Excited States ◽  
Electronic Excited State ◽  
State Decay ◽  
Radiationless Decay

In this article we characterise the radiationless decay of the first few electronic excited states of the cations of DNA/RNA nucleobases uracil and thymine, including the effects of dynamic electron correlation on energies and geometries (optimised with XMS-CASPT2).

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