An anionic organic mixed-valence system with a remarkably well-resolved vibrational structure in its intervalence band.

The reduction of a phenylene-bridged bis(dioxaborine) affords a strongly delocalised organic mixed-valence system; for the first time details of the vibrations coupled to the electron transfer have been extracted from the intervalence band.

[1]  J. Brédas,et al.  Charge-transfer transitions in triarylamine mixed-valence systems: a joint density functional theory and vibronic coupling study. , 2002, Journal of the American Chemical Society.

[2]  Massimo Malagoli,et al.  The vibrational reorganization energy in pentacene: molecular influences on charge transport. , 2002, Journal of the American Chemical Society.

[3]  Norman Sutin,et al.  Optical transitions of symmetrical mixed-valence systems in the Class II-III transition regime. , 2002, Chemical Society reviews.

[4]  S. Barlow.  Fe(II)-to-Co(III) charge-transfer transitions in methylene-bridged metallocene salts. , 2001, Inorganic chemistry.

[5]  T. Meyer,et al.  The localized-to-delocalized transition in mixed-valence chemistry. , 2001, Chemical reviews.

[6]  J. Hupp,et al.  Extended near-infrared resonance raman investigations of an organic mixed-valence system: Diazatetracyclodiene radical cation , 1999 .

[7]  Christoph Lambert,et al.  The Class II/III Transition in Triarylamine Redox Systems , 1999 .

[8]  G. Scuseria,et al.  An efficient implementation of time-dependent density-functional theory for the calculation of excitation energies of large molecules , 1998 .

[9]  Dennis R. Salahub,et al.  Molecular excitation energies to high-lying bound states from time-dependent density-functional response theory: Characterization and correction of the time-dependent local density approximation ionization threshold , 1998 .

[10]  V. Barone,et al.  Density Functional Modeling of Double Exchange Interactions in Transition Metal Complexes. Calculation of the Ground and Excited State Properties of [Fe2(OH)3(tmtacn)2]2+ , 1998 .

[11]  Mark A. Nagy,et al.  COMPARISON OF V VALUES FOR SOME NITROGEN- AND METAL-CENTERED PI -BRIDGED MIXED-VALENCE COMPOUNDS , 1998 .

[12]  C. Rovira,et al.  Study of intervalence bands due to reversible intramolecular electron transfer phenomena in purely organic mixed-valence high-spin molecules , 1997 .

[13]  R. Ismagilov,et al.  Charge Localization in a Dihydrazine Analogue of Tetramethyl-p-phenylenediamine Radical Cation , 1996 .

[14]  C. Rovira,et al.  Purely Organic Mixed‐Valence Molecules with Nanometric Dimensions Showing Long‐Range Electron Transfer. Synthesis, and Optical and EPR Studies of a Radical Anion Derived from a Bis(triarylmethyl)Diradical , 1994 .

[15]  H. Hartmann,et al.  Anion radicals as intermediates in the cathodic reduction of β-diketoboronates (cyclic voltammetry, EPR and uv—vis) , 1994 .

[16]  A. Becke,et al.  Density-functional exchange-energy approximation with correct asymptotic behavior. , 1988, Physical review. A, General physics.

[17]  Parr,et al.  Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density. , 1988, Physical review. B, Condensed matter.

[18]  L. Miller,et al.  Electronic transitions of polyacenequinone radical anions in the 1-2 .mu.micron region , 1987 .

[19]  Jacques Weber,et al.  Electronic structure of metallocene compounds. 3. Comparison of the results of multiple-scattering X.alpha. calculations with various electronic observables of cobaltocene , 1982 .

[20]  Michael C. Zerner,et al.  An intermediate neglect of differential overlap technique for spectroscopy of transition-metal complexes. Ferrocene , 1980 .