Ab Initio Study of the Electronic Excited States in 4-(N,N-Dimethylamino)benzonitrile with Inclusion of Solvent Effects:  The Internal Charge Transfer Process

2000 ◽  
Vol 122 (43) ◽  
pp. 10621-10630 ◽  
Author(s):  
Benedetta Mennucci ◽  
Alessandro Toniolo ◽  
Jacopo Tomasi
Keyword(s):  
Charge Transfer ◽  
Ab Initio ◽  
Excited States ◽  
Transfer Process ◽  
Solvent Effects ◽  
Charge Transfer Process ◽  
Ab Initio Study ◽  
Electronic Excited States ◽  
Internal Charge Transfer ◽  
Internal Charge

Monitoring the intramolecular charge transfer process in the Z907 solar cell sensitizer: a transient Vis and IR spectroscopy and ab initio investigation

2015 ◽  
Vol 17 (33) ◽  
pp. 21594-21604 ◽  
Author(s):  
Nicolò Azzaroli ◽  
Maria Grazia Lobello ◽  
Andrea Lapini ◽  
Alessandro Iagatti ◽  
Laura Bussotti ◽  
...  
Keyword(s):  
Excited State ◽  
Charge Transfer ◽  
Solar Cell ◽  
Ir Spectroscopy ◽  
Ab Initio ◽  
Transfer Process ◽  
Intramolecular Charge Transfer ◽  
Charge Transfer Process ◽  
Tddft Calculations ◽  
Semiconductor Substrates

The excited state dynamics of Z907 in solution and on semiconductor substrates has been studied with ultrafast UV/Vis and IR spectroscopy and DFT/TDDFT calculations.

Substituent Effects on Twisted Internal Charge Transfer Excited States of N-Borylated Carbazoles and (Diphenylamino)boranes

2012 ◽  
Vol 116 (4) ◽  
pp. 1151-1158 ◽  
Author(s):  
Jian Wang ◽  
Ying Wang ◽  
Takuhiro Taniguchi ◽  
Shigehiro Yamaguchi ◽  
Stephan Irle
Keyword(s):  
Charge Transfer ◽  
Excited States ◽  
Substituent Effects ◽  
Internal Charge Transfer ◽  
Internal Charge

Ab initio study of the ground and two low-lying electronic excited states of FeC

2001 ◽  
Vol 115 (24) ◽  
pp. 11213-11220 ◽  
Author(s):  
Sachiko S. Itono ◽  
Tetsuya Taketsugu ◽  
Tsuneo Hirano ◽  
Umpei Nagashima
Keyword(s):  
Ab Initio ◽  
Excited States ◽  
Ab Initio Study ◽  
Electronic Excited States
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