Exploring the isomerization paths of push–pull hexatrienes

RSC Advances ◽  
2016 ◽  
Vol 6 (91) ◽  
pp. 88433-88442 ◽  
Author(s):  
Anjan Chattopadhyay ◽  
Praveen Saini ◽  
Riddhish Pandharkar
Keyword(s):  
Singlet State ◽  
Excited Singlet State ◽  
Conical Intersection ◽  
Excited Singlet ◽  
Donor Side

The first photo-excited singlet state of all-trans donor (amine), acceptor (cyano)-substituted hexatriene forms donor side-twisted minima and its passage towards the cis–trans–trans isomer is characterized by an S0/S1 conical intersection.

Excited state C–N bond dissociation and cyclization of tri-aryl amine-based OLED materials: a theoretical investigation

2019 ◽  
Vol 21 (1) ◽  
pp. 438-447 ◽  
Author(s):  
J. Vijaya sundar ◽  
V. Subramanian ◽  
B. Rajakumar
Keyword(s):  
Excited State ◽  
Theoretical Investigation ◽  
Singlet State ◽  
Chemical Degradation ◽  
Excited Singlet State ◽  
Conical Intersection ◽  
Excited Singlet ◽  
Bond Dissociation ◽  
Aryl Amine ◽  
Excited Molecules

Chemical degradation of TAA occurs through the conical intersection present between ground and first excited singlet state with C–N bond dissociation, which channels the excited molecules to dissociate and form radical fragments or cyclized products.

The Gold Porphyrin First Excited Singlet State¶

2002 ◽  
Vol 76 (1) ◽  
pp. 47 ◽  
Author(s):  
Joakim Andréasson ◽  
Gerdenis Kodis ◽  
Su Lin ◽  
Ana L. Moore ◽  
Thomas A. Moore ◽  
...  
Keyword(s):  
Singlet State ◽  
Excited Singlet State ◽  
Excited Singlet

The Forbidden 11Bu– Excited Singlet State in Peridinin and Peridinin Analogues

2017 ◽  
Vol 122 (1) ◽  
pp. 130-139
Author(s):  
Jordan A. Greco ◽  
Nicole L. Wagner ◽  
Harry A. Frank ◽  
Robert R. Birge
Keyword(s):  
Singlet State ◽  
Excited Singlet State ◽  
Excited Singlet

ChemInform Abstract: Lowest Energy Excited Singlet State of Isolated cis-Hexatriene

ChemInform ◽  
2010 ◽  
Vol 22 (34) ◽  
pp. no-no
Author(s):  
W. J. BUMA ◽  
B. E. KOHLER ◽  
K. SONG
Keyword(s):  
Singlet State ◽  
Excited Singlet State ◽  
Excited Singlet
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