Spectroscopic Evidence for a Triplet Ground State in the Naphthyl Cation

Galué, Héctor Alvaro

doi:10.1002/ange.201102333

Cited by 4 publications

(1 citation statement)

References 28 publications

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“…Although the multiple-photon excitation relies on the anharmonic character of IVR coupled modes, which could induce noticeable nonlinear effects 37 , there are examples such as the naphthyl + action spectrum 38 39 confirming the quasi-resonant harmonic description of adiabatic molecular potentials probed by multiple-photon action spectroscopy 37 40 . Here, the bands observed in the action spectra are summarized in Table 1 with their spectral deconvolutions and harmonic mode assignments (from Supplementary Tables 7–16 ) based on the B3LYP vibrational analysis of Fig.…”

Section: Resultsmentioning

confidence: 85%

Electron-flux infrared response to varying π-bond topology in charged aromatic monomers

2016

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The interaction of delocalized π-electrons with molecular vibrations is key to charge transport processes in π-conjugated organic materials based on aromatic monomers. Yet the role that specific aromatic motifs play on charge transfer is poorly understood. Here we show that the molecular edge topology in charged catacondensed aromatic hydrocarbons influences the Herzberg-Teller coupling of π-electrons with molecular vibrations. To this end, we probe the radical cations of picene and pentacene with benchmark armchair- and zigzag-edges using infrared multiple-photon dissociation action spectroscopy and interpret the recorded spectra via quantum-chemical calculations. We demonstrate that infrared bands preserve information on the dipolar π-electron-flux mode enhancement, which is governed by the dynamical evolution of vibronically mixed and correlated one-electron configuration states. Our results reveal that in picene a stronger charge π-flux is generated than in pentacene, which could justify the differences of electronic properties of armchair- versus zigzag-type families of technologically relevant organic molecules.

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Section: Resultsmentioning

confidence: 85%

Electron-flux infrared response to varying π-bond topology in charged aromatic monomers

2016

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Reactive N‐Protonated Isocyanate Species Stabilized by Bis(μ‐hydroxo)divanadium(IV)‐Substituted Polyoxometalate

2012

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O‐ oder N‐protoniert? Das Bis(μ‐hydroxo)divanadium(IV)‐substituierte γ‐Keggin‐artige Polyoxometallat (TBA)4[γ‐SiVIV2W10O36(μ‐OH)4] (siehe Bild links, TBA=Tetra(n‐butyl)ammonium) wurde synthetisiert und durch Kristallstrukturanalyse charakterisiert. Seine Reaktion mit Phenylisocyanat ergab (TBA)4[γ‐SiVIV2W10O38(μ‐OH)2(PhNHCO)2], das zwei N‐protonierte Phenylisocyanat‐ Einheiten enthält und die Cyclotrimerisierung von Phenylisocyanat katalysiert.

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Reactive N‐Protonated Isocyanate Species Stabilized by Bis(μ‐hydroxo)divanadium(IV)‐Substituted Polyoxometalate

2012

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Spectroscopic Evidence for a Triplet Ground State in the Naphthyl Cation

Cited by 4 publications

References 28 publications

Electron-flux infrared response to varying π-bond topology in charged aromatic monomers

Electron-flux infrared response to varying π-bond topology in charged aromatic monomers

Reactive N‐Protonated Isocyanate Species Stabilized by Bis(μ‐hydroxo)divanadium(IV)‐Substituted Polyoxometalate

Reactive N‐Protonated Isocyanate Species Stabilized by Bis(μ‐hydroxo)divanadium(IV)‐Substituted Polyoxometalate

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