期刊
JOURNAL OF PHYSICAL CHEMISTRY A
卷 111, 期 13, 页码 2619-2624出版社
AMER CHEMICAL SOC
DOI: 10.1021/jp0673664
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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 degrees, 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.
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