Rahanyan, N; Linden, A; Baldridge, K K; Siegel, J S (2009). Diels–Alder reactions of 3,6-disubstituted 1,2,4,5-tetrazines. Synthesis and X-ray crystal structures of diazafluoranthene derivatives. Organic & Biomolecular Chemistry, 7(10):2082-2092.
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The synthesis of a series of 3,6-disubstituted-1,2,4,5-tetrazines has been effected using an inverse electron demand [2 + 4] cycloaddition strategy. The crystal structures of 18 members of this series of diazafluoranthenes are reported. Stereochemical analysis shows that diazafluoranthenes, substituted across the bay region, are helically-twisted strained aromatic molecules. The dihedral angle between pyridazyl vs naphthyl rings ranges from 0.5° to 20.9°, and follows the degree of steric congestion in the bay region. The crystal structures are compared to computational structures determined using density functional theory, with the M06-2X/cc-pVDZ method.
|Item Type:||Journal Article, refereed, original work|
|Communities & Collections:||07 Faculty of Science > Department of Chemistry|
|Deposited On:||17 Jan 2010 08:53|
|Last Modified:||05 Jun 2014 13:08|
|Publisher:||Royal Society of Chemistry|
|Citations:||Web of Science®. Times Cited: 7|
Scopus®. Citation Count: 6
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