Substituted ferrocenes: Synthesis and correlation of their electronic spectra with structure (LFER)

E.A. Kassab; M.I. Marzouk; M. El-Hashash

doi:10.2298/jsc0209593k

Substituted ferrocenes: Synthesis and correlation of their electronic spectra with structure (LFER)

Journal of the Serbian Chemical Society ◽

10.2298/jsc0209593k ◽

2002 ◽

Vol 67 (8-9) ◽

pp. 593-603 ◽

Cited By ~ 5

Author(s):

E.A. Kassab ◽

M.I. Marzouk ◽

M. El-Hashash

Keyword(s):

Electronic Spectra ◽

Visible Region ◽

Hammett Constants ◽

Wave Numbers

Three series of diacylferrocences (I) and ferrocenylidene acetophenones (II) and monoalkyl ferrocences (III) were synthesized and their electronic spectra in the visible region were studied. The bands exhibited by compounds (II) show a good correlation between their wave numbers and the Hammett ? constants.

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The electronic spectra of phenyl radicals

Proceedings of the Royal Society of London Series A - Mathematical and Physical Sciences ◽

10.1098/rspa.1965.0190 ◽

1965 ◽

Vol 287 (1411) ◽

pp. 457-470 ◽

Cited By ~ 42

Keyword(s):

Absorption Spectrum ◽

Electronic Absorption Spectrum ◽

Electronic Absorption ◽

Ground State ◽

Electronic Spectra ◽

Flash Photolysis ◽

Visible Region ◽

Electronic Configuration ◽

Vibrational Structure ◽

Fundamental Frequencies

An electronic absorption spectrum, attributed to phenyl, has been observed in the visible region with origin at 18 908 cm -1 after flash photolysis of benzene and halogenobenzenes. Similar spectra of fluoro, chloro and bromo phenyl are observed after flash photolysis of disubstituted benzenes. The vibrational structure of the phenyl spectrum has been analysed in terms of two fundamental frequencies at 571 and 896 cm -1 which correspond to the e 2 g and a 1 g frequencies of the B 2 u state of benzene. The ground state of phenyl has a π 6 n electronic configuration and the observed transition is interpreted as 2 A 1 → 2 B 1 resulting from a π → n excitation.

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A theoretical study of the electronic structure and spectra of metalloporphine cations

Canadian Journal of Chemistry ◽

10.1139/v85-296 ◽

1985 ◽

Vol 63 (7) ◽

pp. 1763-1772 ◽

Cited By ~ 19

Author(s):

W. Daniel Edwards ◽

Michael C. Zerner

Keyword(s):

Electronic Structure ◽

Electronic Spectra ◽

Theoretical Study ◽

Visible Region ◽

Ionization Energies ◽

Neutral Compounds ◽

Experimental Findings ◽

Spin Densities ◽

Soret Region

A theoretical study is made of the electronic spectra of Mg(II), Zn(II), and Co(III) porphine and their π cations using the INDO/S-CI spectroscopic model. The calculated electronic spectra for the neutral compounds compare well with experiment. The two low-lying π cations, one of 2A1u and one of 2A2u symmetry are both examined for each of these systems. The 2A1u cations are calculated to lie lower in energy than the 2A2u cations by only 4 kcal/mol, consistent with the findings that both ions are found depending on substituents and solvent.The visible region of the spectrum of the 2A1u species is predicted to consist of three separate bands decreasing in intensity with increasing energy, while that of the 2A2u species is calculated to consist of three allowed transitions of near equal intensity, in agreement with experimental findings. In general the Soret region of the 2A1u ions is dominated by one transition, while at least three strong bands are calculated in the Soret region for the 2A2u ions, again in reasonable accord with experiment. Charges, ionization energies, and spin densities are reported and discussed for all compounds.

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Elektronenspektren p-donator-substituierter Benzonitrile und Benzoesäureäthylester/ Electronic Spectra of p-Donor Substituted Benionitriles and Ethylbenzoates

Zeitschrift für Naturforschung A ◽

10.1515/zna-1983-0313 ◽

1983 ◽

Vol 38 (3) ◽

pp. 368-377 ◽

Cited By ~ 14

Author(s):

Günter Wermuth

Keyword(s):

Perturbation Theory ◽

Excited State ◽

Electronic Spectra ◽

Ester Group ◽

Nitrile Group ◽

The Other ◽

Absorption Bands ◽

Wave Numbers ◽

Donor Substituent ◽

Dialkylamino Group

Abstract The positions of 1La and 1Lb type absorption bands as well as the fluorescence polarization and natural lifetime show that p-donor substituted benzonitriles emit from a 1Lb-state. On the other hand, the nature of the lowest excited state of p-substituted ethylbenzoates depends upon the kind of the donor. In case of a dialkylamino group as donor substituent the emission occurs from the 1La-state, in case of weeker donors, like methoxy, from the 1Lb-state. In the intermediate case of p-aminoethylbenzoate the excited state depends upon the polarity of the solvent.The 1Lb← 1A transition occurs at higher wave numbers for the donor substituent ethylbenzoates than for the correspondingly substituted benzonitriles, although the ester group represents the stronger acceptor substituent than the nitrile group in spectroscopic respect. This effect is interpreted using perturbation theory according to Petruska.

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Electronic Spectra of YOH and YOD in the Visible Region: Strong Vibronic Coupling between the B1Π and C1Σ+ States

Journal of Molecular Spectroscopy ◽

10.1006/jmsp.1999.7841 ◽

1999 ◽

Vol 196 (1) ◽

pp. 45-69 ◽

Cited By ~ 13

Author(s):

A.G. Adam ◽

K. Athanassenas ◽

D.A. Gillett ◽

C.T. Kingston ◽

A.J. Merer ◽

...

Keyword(s):

Electronic Spectra ◽

Visible Region ◽

Vibronic Coupling

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The Optical Spectroscopy of Extraterrestrial Molecules

Australian Journal of Chemistry ◽

10.1071/ch04269 ◽

2005 ◽

Vol 58 (2) ◽

pp. 69 ◽

Cited By ~ 11

Author(s):

Timothy W. Schmidt ◽

Robert G. Sharp

Keyword(s):

Interstellar Medium ◽

Optical Spectroscopy ◽

Electronic Spectra ◽

Visible Region ◽

Experimental Techniques ◽

Molecular Absorption ◽

Molecular Emission ◽

Diffuse Interstellar Bands

The ongoing quest to identify molecules in the interstellar medium by their electronic spectra in the visible region is reviewed. Identification of molecular absorption is described in the context of the elucidation of the carriers of the unidentified Diffuse Interstellar Bands, and molecular emission is discussed with reference to the unidentified Red Rectangle bands. The experimental techniques employed in undertaking studies on the optical spectroscopy of extraterrestrial molecules are described and critiqued in the context of their application.

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Preparation and Spectral Properties of Mixed-Ligand Complexes of VO(IV), Ni(II), Zn(II), Pd(II), Cd(II) and Pb(II) with Dimethylglyoxime andN-acetylglycine

E-Journal of Chemistry ◽

10.1155/2010/125136 ◽

2010 ◽

Vol 7 (s1) ◽

pp. S580-S586 ◽

Cited By ~ 7

Author(s):

Shayma A. Shaker

Keyword(s):

Metal Ions ◽

Electronic Spectra ◽

Nmr Spectra ◽

Magnetic Moments ◽

Visible Region ◽

Mixed Ligand ◽

Mixed Ligand Complexes ◽

Carboxyl Oxygen Atom ◽

Absorption Bands ◽

C Nmr

A number of mixed-ligand complexes of the general formula [M(D)(G)] where D=dimethylglyoximato monoanion, G=N-acetylglycinato and M=VO(IV), Ni(II), Zn(II), Pd(II), Cd(II) and Pb(II) were prepared. Each complex was characterized by elemental analysis, determination of metal, infrared spectra, electronic spectra, (1H and13C) NMR spectra, conductivity and magnetic moments. All these complexes were not soluble in some of the organic solvent but highly soluble in dimethylformamide. The conductivity data showed the non-electrolytic nature of the complexes. The electronic spectra exhibited absorption bands in the visible region caused by the d-d electronic transition such as VO(IV), Ni(II) and Pd(II). The IR and (1H,13C) NMR spectra which have indicate that the dimethylglyoxime was coordinated with the metal ions through the N and O atoms of the oxime group andN-acetylglycine was coordinated with metal ions through the N atom and terminal carboxyl oxygen atom.

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