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Molecular and Electronic Structure of 1, 8-Peribridged Naphthalenes

The crystal and molecular structure of 1, 8-thianaphthalene has been determined and compared with other single-atom peribridged naphthalenes (SAPN). The measured CSC angle is 73.06°, which is the smallest bridging angle yet recorded for a SAPN derivative. The ab initio calculations using G3(MP2)//B3LYP method were performed for peribridged naphthalenes in order to determine how the strain of the four-membered ring is influenced by the type of bridge linking 1, 8 positions. The electronic structure of 1, 8-thia- and 1, 8-sulfonenaphthalenes has been studied by UV photoelectron spectroscopy. We have tried to identify and distinguish the strain effect on the electronic structure of the naphthalene moiety.

single-atom peribridged naphthalene; electronic structure of sulfonenaphthalene; UV photoelectron spectroscopy; ab initio calculations

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