Long Carbon–Carbon Bonding beyond 2 Å in Tris(9-fluorenylidene)methane
Takashi Kubo, Yuki Suga, Daisuke Hashizume, Hiroki Suzuki, Tatsuya Miyamoto, Hiroshi Okamoto, Ryohei Kishi, Masayoshi Nakano
Abstract
C NMR spectroscopy shows a sharp peak at 82.9 ppm for the long-bonded carbons, and a CASSCF(6,6) calculation indicates small diradical character. The experimental and theoretical analyses reveal sufficient covalent-bonding interaction in the long-bonded carbon pair.
Topics & Concepts
ChemistryHOMO/LUMODiradicalMolecular orbitalAtomic orbitalCovalent bondOrbital overlapNon-bonding orbitalCarbon fibersMethaneCrystallographyMolecular physicsElectronPhotochemistryAtomic physicsMoleculeOrganic chemistrySinglet stateComposite numberPhysicsExcited stateQuantum mechanicsComposite materialMaterials scienceAdvanced Chemical Physics StudiesCrystallography and molecular interactionsSynthesis and Properties of Aromatic Compounds