Rydberg-Valence Interactions in Monoolefins: Dispersing Electronic Properties in 1,1′-Bicyclohexylidene

Disentangling the embrace: Calculations on the electronic structure of 1,1′‐bicyclohexylidene (shown in the graphic) indicate that electronic coupling of the excited ππ* valence state with Rydberg states lies at the basis of the hitherto poorly understood presence of two low‐lying electronic states...

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Veröffentlicht in:	Chemphyschem 2003-01, Vol.4 (1), p.97-101
Hauptverfasser:	Rijkenberg, Rolf A., Buma, Wybren J., van Lenthe, Joop H., Jenneskens, Leonardus W., Schmal, Leonard P.
Format:	Artikel
Sprache:	eng
Schlagworte:	Ab initio calculations alkenes Atomic and molecular physics Calculations and mathematical techniques in atomic and molecular physics (excluding electron correlation calculations) electronic spectroscopy Electronic structure of atoms, molecules and their ions: theory Exact sciences and technology Intensities and shapes of molecular spectral lines and bands Molecular properties and interactions with photons oligo(cyclohexylidene)s Oscillator and band strengths, lifetimes, transition moments, and franck-condon factors Physics Rydberg-valence coupling
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