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Exploring Structure–Property Relationships of Silver 4‐(Phenylethynyl)pyridine Complexes
Author(s) -
Knichal Jane V.,
Gee William J.,
Cameron Christopher A.,
Skelton Jonathan M.,
Gag Kevin J.,
Teat Simon J.,
Wilson Chick C.,
Raithby Paul R.,
Burrows Andrew D.
Publication year - 2017
Publication title -
european journal of inorganic chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.667
H-Index - 136
eISSN - 1099-0682
pISSN - 1434-1948
DOI - 10.1002/ejic.201601298
Subject(s) - chemistry , pyridine , crystallography , crystal structure , single crystal , metal , solid state , ligand (biochemistry) , stereochemistry , medicinal chemistry , organic chemistry , receptor , biochemistry
Silver(I) salts demonstrate a strong preference for forming linear complexes when reacted with 4‐(phenylethynyl)pyridine (pep). The packing of these complexes was found to be strongly influenced by the counteranions, namely PF 6 – , BF 4 – , NO 2 – , NO 3 – , MeCO 2 – , CF 3 CO 2 – , MeSO 3 – , Tos – and SCN – . This study evaluates a family of twelve solid‐state structures that exhibit varying metal‐to‐ligand ratios, [Ag(pep) 2 ][PF 6 ] · MeCN, [Ag(pep) 2 ][PF 6 ], [Ag(pep) 2 ][BF 4 ], [Ag(pep) 2 ][Ag(NO 2 ) 2 ], [Ag(pep) 2 ][NO 3 ] · 2H 2 O, [Ag(pep) 2 ][Ag(NO 3 ) 2 ], [Ag(pep) 2 (MeCO 2 )] · 3H 2 O, [Ag(pep) 2 ][CF 3 CO 2 ], [Ag(pep) 2 ][CF 3 SO 3 ], 2{[Ag(pep) 2 ][Tos]} · pep and [Ag(pep)(SCN)]. This family has enabled general trends and noteworthy packing‐induced structure–property relationships to be elucidated. Highlights include two instances of single‐crystal‐to‐single‐crystal transformations, one of which occurs with a colour change. This change in crystal colour has been further explored using first‐principles computational modelling.