Synthesis and spectroscopic properties of the elusive 3a,9a-diazaperylenium dication |
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| Authors: | Sotiriou-Leventis Chariklia Rawashdeh Abdel-Monem M Oh Woon Su Leventis Nicholas |
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| Institution: | Department of Chemistry, University of Missouri-Rolla, Rolla, MO 65409, USA. leventis@umr.edu |
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| Abstract: | The 3a,9a-diazaperylenium dication (1) was synthesized for the first time in two steps from p-phenylene diamine. Ab initio calculations show a twisted ground state with a 6.4 degrees tilt between the two quinolizinium building blocks. Dication 1 is photoluminescent in fluid solutions of H(2)O, CH(3)CN, and CH(3)NO(2), but not in rigid matrices of the same solvents. This phenomenon has been attributed to a geometric relaxation of the tilted ground state into an emitting planar lowest singlet excited state. structure: see text] |
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