American Chemical Society
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Chloro and Hydroxo Forms of a Boron(III) Subtriazaporphyrin Macrocycle

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journal contribution
posted on 2006-08-07, 00:00 authored by Jay R. Stork, Jeffrey J. Brewer, Takamitsu Fukuda, Jeffrey P. Fitzgerald, Gordon T. Yee, Alexander Y. Nazarenko, Nagao Kobayashi, William S. Durfee
cis-3,4-Dicyano-3-hexene undergoes cyclotrimerization with BCl3 to form the new subtriazaporphyrin chloro[hexaethylsubtriazaporphyrinato]boron(III). The hydroxo derivative of this macrocycle has also been made, and the X-ray crystal structure of the hydroxy form was determined. Electronic absorption and magnetic circular dichroism spectra of the hydroxo monomer species were interpreted using time-dependent density functional theory calculations.