Gas Phase Charge-Transfer Complexes

1965 ◽  
Vol 69 (10) ◽  
pp. 3671-3672 ◽  
Author(s):  
M. Kroll ◽  
M. L. Ginter
Keyword(s):  
Charge Transfer ◽  
Gas Phase ◽  
Charge Transfer Complexes

Charge transfer complexes between 2-, 3- and 4-aminopyridines and some π-acceptors in the gas phase and in chloroform: DFT calculations

2016 ◽  
Vol 15 (04) ◽  
pp. 1650029 ◽  
Author(s):  
Nuha Ahmed Wazzan
Keyword(s):  
Charge Transfer ◽  
Dft Calculations ◽  
Gas Phase ◽  
Density Functional ◽  
Molecular Structures ◽  
Basis Set ◽  
Charge Transfer Complexes ◽  
Good Correspondence ◽  
Electronic Distribution ◽  
Picryl Chloride

This work reports density functional theory (DFT) calculations on the molecular structures, electronic distribution, and UV-Vis and IR spectroscopy analysis of charge transfer complexes between aminopyridines (APYs), namely 2-APY, 3-APY and 4-APY, as electron-donors and some [Formula: see text]-electron-acceptors, namely chloranil (CHL), tetracyanoethylene (TCNE) and picryl chloride (PC), formed in the gas phase at the B3LYP/6-31[Formula: see text]G(d,p) method/basis set, and in chloroform at the same method/basis set using PCM as solvation model. Good correspondence was generally obtained between the calculated parameters and the experimental ones.

scholarly journals Non-spectrscopic Methods for Studying Gas Phase Charge Transfer Complexes. Diethyl Ether . I2 and Trimethylamine . SO2.

1970 ◽  
Vol 24 ◽  
pp. 1836-1837 ◽  
Author(s):  
Just Grundnes ◽  
Sherril D. Christian ◽  
Venghout Cheam ◽  
S. Liaaen-Jensen ◽  
Aud Lamvik ◽  
...  
Keyword(s):  
Charge Transfer ◽  
Gas Phase ◽  
Diethyl Ether ◽  
Charge Transfer Complexes

Magnetic properties of new charge-transfer complexes based on manganese porphyrins

1997 ◽  
Vol 90 (3) ◽  
pp. 407-413
Author(s):  
MARC KELEMEN ◽  
CHRISTOPH WACHTER ◽  
HUBERT WINTER ◽  
ELMAR DORMANN ◽  
RUDOLF GOMPPER ◽  
...  
Keyword(s):  
Magnetic Properties ◽  
Charge Transfer ◽  
Charge Transfer Complexes ◽  
Manganese Porphyrins
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