Optical anisotropy and charge-transfer transition energies in BiFeO3from 1.0 to 5.5 eV

Time-resolved linear dichroism spectroscopy has been used to study the influence of solvent on the charge transfer complex formed between hexamethylbenzene and 1,2,4,5-tetracyanobenzene. It was shown that cyano-substituted solvents induce a 1500 cm1 increase in the charge transfer transition energies relative to those observed in chlorinated solvents. Furthermore, the angle between the charge transfer absorption transition moments and the photochemically produced radical anion absorption transition moment, after relaxation, has been measured for this complex in several solvents. A simple model was used to correlate the angles measured using time-resolved linear dichroism spectroscopy with the extent of localized excitation mixed into the charge transfer transitions. These measurements reveal that different charge transfer transitions borrow intensity from the localized excitation to different extents. By using different excitation wavelengths, the partitioning of the borrowed intensity among the charge transfer transitions of this complex could be evaluated for the first time.Key words: 1,2,4,5-tetracyanobenzene, hexamethylbenzene, donoracceptor complex, photoinduced electron transfer, photoselection.

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Charge-transfer transition energies and the prediction of reactivity in electrophile-nucleophile reactions

Journal of Physical Organic Chemistry ◽

10.1002/poc.610050606 ◽

1992 ◽

Vol 5 (6) ◽

pp. 317-321 ◽

Cited By ~ 3

Author(s):

Donald Bethell ◽

Vernon D. Parker

Keyword(s):

Charge Transfer ◽

Charge Transfer Transition ◽

Transition Energies

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Inductive effect of methyl group in a series of methylated indoles: A graph theoretical analysis in the light of density functional theory and correlation with experimental charge transfer transition energies

Journal of Chemical Sciences ◽

10.1007/s12039-013-0436-4 ◽

2013 ◽

Vol 125 (4) ◽

pp. 905-912 ◽

Cited By ~ 2

Author(s):

AMIT S TIWARY ◽

ASOK K MUKHERJEE

Keyword(s):

Density Functional Theory ◽

Charge Transfer ◽

Theoretical Analysis ◽

Density Functional ◽

Inductive Effect ◽

Charge Transfer Transition ◽

Functional Theory ◽

Methyl Group ◽

Transition Energies ◽

Graph Theoretical Analysis

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SOLVENT SHIFTS IN CHARGE-TRANSFER SPECTRA. INFLUENCE OF DONOR STRENGTH

Canadian Journal of Chemistry ◽

10.1139/v66-362 ◽

1966 ◽

Vol 44 (20) ◽

pp. 2405-2407 ◽

Cited By ~ 4

Author(s):

H. M. Rosenberg ◽

E. Eimutis ◽

D. Hale

Keyword(s):

Refractive Index ◽

Dipole Moment ◽

Excited State ◽

Charge Transfer ◽

Charge Transfer Transition ◽

Transition Energies ◽

Solvent Shifts ◽

Excited State Dipole Moment

The charge-transfer transition energies for a series of methylbenzene–tetracyanoethylene complexes in four solvents are reported. The charge-transfer transition energies are found to decrease with increasing solvent refractive index. The magnitude of the decrease appears to be a function of donor strength. It is inferred that the excited state dipole moment decreases with increasing donor strength for these complexes.

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Calculations of charge-transfer transition energies and spectroscopic properties of a molecular crystal: methylbacteriopheophorbide a

Journal of the American Chemical Society ◽

10.1021/ja00194a019 ◽

1989 ◽

Vol 111 (12) ◽

pp. 4277-4284 ◽

Cited By ~ 12

Author(s):

William W. Parson ◽

Steven Creighton ◽

Arieh Warshel

Keyword(s):

Charge Transfer ◽

Molecular Crystal ◽

Spectroscopic Properties ◽

Charge Transfer Transition ◽

Transition Energies

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Vertical Ionization Energies and Electron Affinities of Ions in Solution from Outer-Sphere Charge Transfer Transition Energies

Inorganic Chemistry ◽

10.1021/ic980217i ◽

1998 ◽

Vol 37 (18) ◽

pp. 4584-4588 ◽

Cited By ~ 26

Author(s):

S. I. Gorelsky ◽

V. Yu. Kotov ◽

A. B. P. Lever

Keyword(s):

Charge Transfer ◽

Outer Sphere ◽

Electron Affinities ◽

Charge Transfer Transition ◽

Ionization Energies ◽

Transition Energies ◽

Vertical Ionization Energies

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

Canadian Journal of Chemistry ◽

10.1139/v70-045 ◽

1970 ◽

Vol 48 (2) ◽

pp. 299-305 ◽

Cited By ~ 25

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.

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