Ultrafast excited state decay of natural UV filters: from intermolecular hydrogen bonds to a conical intersection

2018 ◽  
Vol 20 (22) ◽  
pp. 15074-15085 ◽  
Author(s):  
Peter S. Sherin ◽  
Yuri P. Tsentalovich ◽  
Eric Vauthey ◽  
Enrico Benassi
Keyword(s):  
Excited State ◽  
Hydrogen Bonds ◽  
Excited States ◽  
Conical Intersection ◽  
Side Chain ◽  
Uv Filters ◽  
Intermolecular Hydrogen Bonds ◽  
Unsaturated Bond ◽  
State Decay ◽  
Solvent Properties

An unsaturated bond in the side chain leads to the ultrafast decay of the excited statesviaa conical intersection independent of solvent properties.

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).

Diversity of excited state deactivation paths in heteroazaaromatics with multiple intermolecular hydrogen bonds

1998 ◽  
Vol 102 (3) ◽  
pp. 469-475 ◽  
Author(s):  
Jacek Dobkowski ◽  
Jerzy Herbich ◽  
Victor Galievsky ◽  
Randolph P. Thummel ◽  
Feiyue Wu ◽  
...  
Keyword(s):  
Excited State ◽  
Hydrogen Bonds ◽  
Intermolecular Hydrogen Bonds

Stabilization of hydrophobic domains in hydrogel by intermolecular hydrogen bonds between carboxylic groups at the distal end of alkyl side-chain

Polymer ◽  
2002 ◽  
Vol 43 (26) ◽  
pp. 7467-7475 ◽  
Author(s):  
Takeshi Karino ◽  
Naoki Masui ◽  
Masayuki Hiramatsu ◽  
Jun Yamaguchi ◽  
Kimio Kurita ◽  
...  
Keyword(s):  
Hydrogen Bonds ◽  
Side Chain ◽  
Alkyl Side Chain ◽  
Intermolecular Hydrogen Bonds ◽  
Carboxylic Groups

Nonradiative Excited‐State Decay via Conical Intersection in Graphene Nanostructures

ChemPhysChem ◽  
2019 ◽  
Vol 20 (21) ◽  
pp. 2754-2758 ◽  
Author(s):  
Shunwei Chen ◽  
Naeem Ullah ◽  
Yanling Zhao ◽  
Ruiqin Zhang
Keyword(s):  
Excited State ◽  
Conical Intersection ◽  
State Decay ◽  
Graphene Nanostructures

scholarly journals Excited-State Decay Pathways of Molecular Rotors: Twisted Intermediate or Conical Intersection?

2016 ◽  
Vol 7 (21) ◽  
pp. 4285-4290 ◽  
Author(s):  
Tomislav Suhina ◽  
Saeed Amirjalayer ◽  
Benedetta Mennucci ◽  
Sander Woutersen ◽  
Michiel Hilbers ◽  
...  
Keyword(s):  
Excited State ◽  
Molecular Rotors ◽  
Conical Intersection ◽  
State Decay
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