The structure of 5-cyanoindole in the ground and the lowest electronically excited singlet states, deduced from rotationally resolved electronic spectroscopy and ab initio theory

2012 ◽  
Vol 14 (29) ◽  
pp. 10266 ◽  
Author(s):  
Olivia Oeltermann ◽  
Christian Brand ◽  
Bernd Engels ◽  
Jörg Tatchen ◽  
Michael Schmitt
Keyword(s):  
Ab Initio ◽  
Electronic Spectroscopy ◽  
Excited Singlet ◽  
Singlet States ◽  
Ab Initio Theory ◽  
Electronically Excited ◽  
Excited Singlet States

scholarly journals Structures, dipole moments and excited state lifetime of isolated 4-cyanoindole in its ground and lowest electronically excited singlet states

2019 ◽  
Vol 21 (27) ◽  
pp. 14766-14774 ◽  
Author(s):  
Marie-Luise Hebestreit ◽  
Michael Schneider ◽  
Hilda Lartian ◽  
Vivienne Betz ◽  
Michael Heinrich ◽  
...  
Keyword(s):  
Excited State ◽  
Dipole Moments ◽  
Excited State Lifetime ◽  
Excited Singlet ◽  
Singlet States ◽  
Electronically Excited ◽  
Excited Singlet States

The rotationally resolved electronic Stark spectrum of 4-cyanoindole and some N-D and C-D deuterated isotopologues has been measured and analyzed.

An ab initio quantum chemical study of vertically excited singlet states of pyrimidine

1992 ◽  
Vol 162 (2-3) ◽  
pp. 359-367 ◽  
Author(s):  
Per-Åke Malmqvist ◽  
Björn O. Roos ◽  
Markus P. Fülscher ◽  
Alistair P. Rendell
Keyword(s):  
Ab Initio ◽  
Quantum Chemical ◽  
Quantum Chemical Study ◽  
Chemical Study ◽  
Excited Singlet ◽  
Singlet States ◽  
Excited Singlet States
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