Interactions in Molecular Crystals, 123. Crystallization and Structure of Donor–Acceptor Complexes between Rigid or Conformationally Flexible Thio-Crowns and Iodine

Autor:	Norbert Nagel, Andreas Seibel, Hans Bock
Rok vydání:	1997
Předmět:	Chemistry Organic Chemistry Thio Order (ring theory) General Chemistry Acceptor law.invention Metal Bond length Crystallography Molecular geometry law visual_art visual_art.visual_art_medium Molecule Physical and Theoretical Chemistry Crystallization
Zdroj:	Liebigs Annalen. 1997:2151-2159
ISSN:	1099-0690 0947-3440
DOI:	10.1002/jlac.199719971018
Popis:	Studies of π and σ interactions in molecular crystals of donoracceptor complexes have stimulated interest in the crystallization and structure determination of {1,3,5-trithiane…I2}, {1,5,8,12-tetrathiocyclotetradecane…I2} and {1,4,7,10,13,16-hexathiocyclooctadecane…(I2)3} in order to detect structural changes. The II bond lengths are stretched by up to 0.16 A relative to the gas-phase value and prove iodine to be the acceptor species. Additional distance data >S…I2 and II from the Cambridge Structural Database establish a nonlinear correlation. In contrast, bond lengths and bond angles of the sulphide donors remain largely unperturbed on complexation, even when considerable conformational changes are observed. For example, on addition of four iodine molecules, the rather flexible 18-thio-crown-6 with a C2-symmetric bowl-shape is flattened to a Cs-symmetric rectangle. The structural results complement those reported for stronger acceptor effects of metal cations.
Databáze:	OpenAIRE
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