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Synthesis, X-ray crystal structures, and computational studies of 1,1’-bridged 4,4’-diaryl-2,2’-bibenzimidazoles: novel building blocks for supramolecular structures


Frantz, D K; Sullivan, A A; Yasui, Y; Linden, A; Baldridge, K K; Siegel, J S (2009). Synthesis, X-ray crystal structures, and computational studies of 1,1’-bridged 4,4’-diaryl-2,2’-bibenzimidazoles: novel building blocks for supramolecular structures. Organic & Biomolecular Chemistry, 7(11):2347-2352.

Abstract

A series of C-shaped, 1,1'-alkyl-bridged 4,4'-diaryl-2,2'-bibenzimidazoles has been synthesized. The crystal structures of these compounds have been determined and packing diagrams demonstrate that these molecules either form linear intercalated molecular chains or include solvent molecules in the solid state. Crystal structures are compared to computational structures determined using density functional theory, with the BMK/DZV(2d,p) method. The C-shaped or tweezer-like geometry enables them to act as building blocks for supramolecular architectures.

Abstract

A series of C-shaped, 1,1'-alkyl-bridged 4,4'-diaryl-2,2'-bibenzimidazoles has been synthesized. The crystal structures of these compounds have been determined and packing diagrams demonstrate that these molecules either form linear intercalated molecular chains or include solvent molecules in the solid state. Crystal structures are compared to computational structures determined using density functional theory, with the BMK/DZV(2d,p) method. The C-shaped or tweezer-like geometry enables them to act as building blocks for supramolecular architectures.

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Additional indexing

Item Type:Journal Article, refereed, original work
Communities & Collections:07 Faculty of Science > Department of Chemistry
Dewey Decimal Classification:540 Chemistry
Language:English
Date:2009
Deposited On:16 Jan 2010 20:56
Last Modified:05 Apr 2016 13:39
Publisher:Royal Society of Chemistry
ISSN:1477-0520
Publisher DOI:https://doi.org/10.1039/b820502g
PubMed ID:19462044

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