The reorganization energy in pentacene is reported on the basis of a joint experimental and theoretical study of pentacene ionization using high-resolution gas-phase photoelectron spectroscopy, semiempirical intermediate neglect of differential overlap calculations, and first-principles correlated quantum-mechanical calculations at MP2 and density… (More)
The soft character of organic materials leads to strong coupling between molecular, nuclear and electronic dynamics. This coupling opens the way to influence charge transport in organic electronic devices by exciting molecular vibrational motions. However, despite encouraging theoretical predictions, experimental realization of such approach has remained… (More)
We report the synthesis, electrochemistry, and photophysical properties of a new donor-acceptor-donor molecule in which the meso carbon atoms of two zinc porphyrin (POR) units are linked through ethynylene bridges to the 1,7-positions of a central perylene-3,4:9,10-bis(dicarboximide) (PDI). In contrast to previously studied systems incorporating POR and PDI… (More)
Density functional theory calculations together with highly resolved gas-phase ultraviolet photoelectron spectroscopy have been applied to oligothiophene chains with up to eight thiophene rings. One of the important parameters governing the charge transport properties in the condensed phase is the amount of energy relaxation upon ionization. Here, we… (More)
We report a high-resolution gas-phase UPS spectrum of zinc phthalocyanine (ZnPc) together with a detailed analysis of the vibronic structure of the first ionization band, showing that presents the lowest value of the intramolecular reorganization energy experimentally reported for a molecular organic semiconductor.
The ligand-centered mixed-valence (LCMV) properties of two supramolecular complexes are reported: triangular prisms of the form ([Re(CO)3]2X)3-mu,mu',mu' '-[tPyTz]2, where X is 2,2'-bisbenzimidazolate (1) or a pair of benzylthiols (2), and tPyTz is tri-(4-pyridyl)-1,3,5-triazine. Cyclic voltammetry demonstrates that the redox-accessible bridging ligands,… (More)
A molecular rectangle of the form ([Re(CO)(3)](2)BiBzIm)(2)-mu,mu'-(LL)(2), where BiBzIm is 2,2'-bisbenzimidazolate and LL are cofacially aligned [5,15-bis(4-ethynylpyridyl)-10,20-bis(n-hexyl)-porphyrinato]zinc ligands, has been examined via electrochemical, spectroelectrochemical, and electronic Stark effect methods. The rectangle displays three… (More)