Characterization and spectroelectrochemical properties of a binuclear trans,trans-bis(ferrocenylidene)acetone [(C5H5)Fe(C5H4CHCH)]2CO

1990 ◽  
Vol 68 (2) ◽  
pp. 223-227 ◽  
Author(s):  
Pierre D. Harvey ◽  
Jeff G. Sharman
Keyword(s):  
Charge Transfer ◽  
Excited States ◽  
Emission Spectroscopy ◽  
Electronic Charge ◽  
Oxidative Process ◽  
Ft Ir ◽  
Triplet Excited States ◽  
Electronic Charge Transfer ◽  
Spectroelectrochemical Properties ◽  
C Nmr

The binuclear compound trans,trans-bis(ferrocenylidene)acetone [(C5H5)Fe(C5H4CHCH)]2CO (dFca) has been synthesized in quantitative yield and characterized by FT-IR, 1H and 13C NMR, and mass spectroscopy. Cyclic voltammetry and coulometry measurements suggest that a reversible two-electron oxidative process takes place at 0.68 V vs. SSCE. FT-IR and UV–VIS spectroelectrochemical analyses show that this oxidative process occurs at the ferrocenyl centers. The compound is also found to be emissive in the solid state (λmax = 780 nm), and charge transfer assignments for the lowest singlet and triplet excited states are made. Keywords: ferrocenyl, spectroelectrochemistry, electronic charge transfer, emission spectroscopy.

Carbon-13 nuclear magnetic resonance spectral study of some isomeric derivatives of 2-methoxytropone. Troponoid-II

1979 ◽  
Vol 57 (15) ◽  
pp. 1949-1957 ◽  
Author(s):  
J. F. Bagli ◽  
T. Bogri ◽  
B. Palameta ◽  
M. St-Jacques
Keyword(s):  
Nuclear Magnetic Resonance ◽  
Charge Transfer ◽  
Magnetic Resonance ◽  
Spectral Study ◽  
Nmr Spectra ◽  
Membered Ring ◽  
Electronic Charge ◽  
Derivatives Of ◽  
Electronic Charge Transfer ◽  
C Nmr

The 13C nmr spectra of several isomeric monosubstituted derivatives of 2-methoxytropone together with some dibromo derivatives have been obtained and analysed. Substituent parameters were defined and shown to exhibit additivity. Differences with corresponding parameters for monosubstituted benzene analogs suggest proximity interactions between the 3-substituents and the 2-OCH3 group as well as between 7-substituents and the adjacent carbonyl group. The data indicates that the OCH3 group is a convenient probe to investigate the orientation of mesomeric electronic charge transfer to the various carbons of the tropone seven-membered ring. Finally, it is demonstrated that 13C nmr is quite useful to distinguish between the various substituted 2-methoxytropones.

scholarly journals Identifying Ionic and Electronic Charge Transfer at Oxide Heterointerfaces

2020 ◽  
pp. 2004132
Author(s):  
Marc‐André Rose ◽  
Břetislav Šmíd ◽  
Mykhailo Vorokhta ◽  
Ivetta Slipukhina ◽  
Michael Andrä ◽  
...  
Keyword(s):  
Charge Transfer ◽  
Electronic Charge ◽  
Electronic Charge Transfer

scholarly journals Rational Design of TADF Polymers Using a Donor-Acceptor Monomer with Enhanced TADF Efficiency Induced by the Energy Alignment of Charge Transfer and Local Triplet Excited States

2016 ◽  
Vol 4 (4) ◽  
pp. 597-607 ◽  
Author(s):  
Roberto S. Nobuyasu ◽  
Zhongjie Ren ◽  
Gareth C. Griffiths ◽  
Andrei S. Batsanov ◽  
Przemyslaw Data ◽  
...  
Keyword(s):  
Charge Transfer ◽  
Excited States ◽  
Rational Design ◽  
Donor Acceptor ◽  
Triplet Excited States

The investigation of the effect of electronic charge transfer for the YBa2Cu3O7 phase

1996 ◽  
Vol 46 (S2) ◽  
pp. 929-930 ◽  
Author(s):  
Andrei N. Timoshevskii ◽  
Vladimir S. Melnikov ◽  
Alexander E. Krasovskii
Keyword(s):  
Charge Transfer ◽  
Electronic Charge ◽  
Electronic Charge Transfer

Temperature-Dependent Approach to Electronic Charge Transfer

2020 ◽  
Vol 124 (26) ◽  
pp. 5465-5473
Author(s):  
Marco Franco-Pérez ◽  
José L. Gázquez ◽  
Paul W. Ayers ◽  
Alberto Vela
Keyword(s):  
Charge Transfer ◽  
Electronic Charge ◽  
Temperature Dependent ◽  
Electronic Charge Transfer

scholarly journals Bridge effect of the C=C, C=N and N=N bonds on the long distance electronic charge transfer ofpara‒substituted stilbenoid compounds

2000 ◽  
Vol 14 (4) ◽  
pp. 259-267 ◽  
Author(s):  
Manuel A. Leiva ◽  
Raul G. E. Morales
Keyword(s):  
Charge Transfer ◽  
Double Bond ◽  
Molecular System ◽  
Chemical Shifts ◽  
Phenyl Group ◽  
Point Of View ◽  
Electronic Charge ◽  
Orbital Theory ◽  
Long Distance ◽  
C Nmr

By means of13C‒NMR spectroscopy and ab initio molecular orbital theory calculations, we have analyzed the bridge effect of the C=C, C=N and N=N bonds on the long distance charge transfer of4‒dimethylamino‒4'‒nitrostilbenoid compounds in the ground electronic state.After a complete spectral assignment of the13C‒NMR signals in these molecular compounds, we have characterized the effect of the nitrogen centres on the molecular bridge by means of the chemical shifts of the carbon centres, the theoretical charge densities and the dipolar moments.From an electronic molecular point of view, our results describe two main properties of the double bond bridge. The first is related to the local charge accumulation capacity given by the type of the atomic centres and the structural orientation of the double bond bridge, and the second property is related to the modulation of the electronic charge distribution through the molecular system by the electrical polarization of the bridge.Other complementary experimental evidences have permit us to establish new local molecular domains of the bridge effect in these stilbenoid compounds by means of linear correlations between13C‒NMR chemical shifts of the aromatic carbon centres of the acceptor‒phenyl group and the molecular polarity of the species under study.

scholarly journals The effect of alkali metal ions on the electronic structure ofp-anisic acid1

2010 ◽  
Vol 24 (5) ◽  
pp. 449-459 ◽  
Author(s):  
M. Kalinowska ◽  
R. Świsłocka ◽  
E. Regulska ◽  
W. Lewandowski
Keyword(s):  
Metal Ions ◽  
Nmr Spectra ◽  
Alkali Metal Ions ◽  
Electronic Charge ◽  
Sodium Potassium ◽  
Electronic Charge Distribution ◽  
Anisic Acid ◽  
Ft Ir ◽  
C Nmr ◽  
Ft Raman

FT-IR (in solid state and solution), FT-Raman, UV and1H,13C NMR spectra of p-methoxybenzoic (p-anisic) acid and lithium, sodium, potassium, rubidium and caesiump-methoxybenzoates (p-anisates) were registered, assigned and analyzed. The structures of anisic acid and Li, Na and Kp-anisates were optimised at the B3LYP/6-311++G** level. The IR spectra and NPA, ChelpG and MK atomic charges were calculated. The effect of metal ions on the electronic charge distribution in ligand was discussed.

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