UV–Vis spectroscopy and density functional study of solvent effect on the charge transfer band of the n → σ* complexes of 2-Methylpyridine and 2-Chloropyridine with molecular iodine

2017 ◽  
Vol 1131 ◽  
pp. 114-123 ◽  
Author(s):  
Pallavi Gogoi ◽  
Uttam Mohan ◽  
Manash Protim Borpuzari ◽  
Abhijit Boruah ◽  
Surjya Kumar Baruah
Keyword(s):  
Charge Transfer ◽  
Solvent Effect ◽  
Density Functional ◽  
Charge Transfer Band ◽  
Molecular Iodine ◽  
Functional Study ◽  
Density Functional Study ◽  
Vis Spectroscopy

Geometrical distortions and charge transfer in munchnöne regio-selectivity: A conceptual density functional study

2017 ◽  
Vol 117 (24) ◽  
pp. e25444 ◽  
Author(s):  
Marco Martínez González ◽  
David Hernández-Castillo ◽  
Luis A. Montero-Cabrera ◽  
Ramón Alain Miranda-Quintana
Keyword(s):  
Charge Transfer ◽  
Density Functional ◽  
Functional Study ◽  
Density Functional Study

Metal-to-Ligand Charge Transfer (MLCT) Photochemistry offac-Mn(Cl)(CO)3(H-DAB):  A Density Functional Study

1996 ◽  
Vol 100 (38) ◽  
pp. 15346-15357 ◽  
Author(s):  
Angela Rosa ◽  
Giampaolo Ricciardi ◽  
Evert Jan Baerends ◽  
Derk J. Stufkens
Keyword(s):  
Charge Transfer ◽  
Density Functional ◽  
Functional Study ◽  
Density Functional Study ◽  
Ligand Charge Transfer
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