Thermodynamic Constants of Tetracyanoethylene Complexes with Methylated Benzenes

1971 ◽  
Vol 49 (16) ◽  
pp. 2700-2705 ◽  
Author(s):  
S. C. Liao ◽  
R. K. Chan
Keyword(s):  
Free Energy ◽  
Charge Transfer ◽  
Carbon Tetrachloride ◽  
Formation Constants ◽  
Experimental Conditions ◽  
Substituted Benzenes ◽  
Thermodynamic Constants ◽  
Donor Acceptor ◽  
Vertical Ionization Potentials ◽  
Complete Series

Formation constants, and enthalpy, free energy, and entropy changes for the tetracyanoethylene complexes with a complete series of methyl-substituted benzenes have been evaluated from the charge-transfer spectra over a temperature range of 1−50 °C in carbon tetrachloride solutions. From the literature data, it is deduced that various competing side interactions may not be significant compared to 1:1 electron donor–acceptor complex formation under certain experimental conditions. Some correlations among thermodynamic properties and vertical ionization potentials of the donors are discussed.

Dipole moments, charge-transfer parameters, and ionization potentials of the methyl-substituted benzene–tetracyanoethylene complexes

1970 ◽  
Vol 48 (2) ◽  
pp. 299-305 ◽  
Author(s):  
R. K. Chan ◽  
S. C. Liao
Keyword(s):  
Charge Transfer ◽  
Carbon Tetrachloride ◽  
Dipole Moments ◽  
Ionization Potentials ◽  
Charge Transfer Complexes ◽  
Variation Principle ◽  
Charge Transfer Transition ◽  
Transition Energies ◽  
Vertical Ionization Potentials ◽  
Transfer Parameters

The dipole moments of a series of charge-transfer complexes of methylbenzenes with tetracyano-ethylene in carbon tetrachloride solutions at 25 °C and the various parameters derived from Mulliken's theory have been evaluated. The energies of various states of the complexes were calculated via their relationships with the parameters, charge-transfer transition energies, and heats of formation of the complexes by means of the variation principle. Vertical ionization potentials of the donors were obtained from the calculated energies of the dative structures of the complexes. The dipole moments contributed from the charge-transfer interaction can also be reasonably interpreted as charge-transfer energies in terms of vertical ionization potentials of the donors.

Ultrafast Charge Transfer and Relaxation at a Donor–Acceptor Interface

2021 ◽  
Author(s):  
Fernando Rodríguez Díaz ◽  
Hong-Guang Duan ◽  
R. J. Dwayne Miller ◽  
Michael Thorwart
Keyword(s):  
Charge Transfer ◽  
Donor Acceptor ◽  
Ultrafast Charge Transfer
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