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Crucial Influence of Solvent and Chirality—The Formation of Helices and Three‐Dimensional Nets by Hydrogen‐Bonded Biimidazolate Complexes
Author(s) -
Öhrström Lars,
Larsson Krister,
Borg Stefan,
Norberg Stefan T.
Publication year - 2001
Publication title -
chemistry – a european journal
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.687
H-Index - 242
eISSN - 1521-3765
pISSN - 0947-6539
DOI - 10.1002/1521-3765(20011119)7:22<4805::aid-chem4805>3.0.co;2-3
Subject(s) - chirality (physics) , deprotonation , dimethylformamide , solvent , molecule , chemistry , hydrogen , density functional theory , crystallography , hydrogen bond , computational chemistry , organic chemistry , chiral symmetry , physics , quantum mechanics , nambu–jona lasinio model , quark , ion
Deprotonation and recrystallisation of racemic [Co(2,2′‐biimidazole) 3 ][NO 3 ] 3 by ammonia in water/dimethylformamide solutions gave crystals of [Co(Hbiim) 3 ]⋅0.8 H 2 O⋅0.5 DMF ( 2 : Hbiim=monoanion of 2,2′‐biimidazole, DMF=dimethylformamide), a porous material that contains fourfold interpenetrating (10,3) three‐dimensional nets formed by neutral, hydrogen‐bonded [Co(Hbiim) 3 ] units, with DMF molecules in the narrow channels. Recrystallisation of [ Δ ‐Co(2,2′‐biimidazolate) 3 ] gave helices instead of the expected (10,3)‐a net. These results are discussed in the light of additional density functional theory and molecular mechanics calculations and the X‐ray structure of [Co(H 2 biim) 3 ][NO 3 ] 3 .