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First‐row transition metal–pyridine (py)–sulfate [(py) x M ](SO 4 ) complexes ( M = Ni, Cu and Zn): crystal field theory in action
Author(s) -
Roy Mrittika,
Pham Duyen N. K.,
Kreider-Mueller Ava,
Golen James A.,
Manke David R.
Publication year - 2018
Publication title -
acta crystallographica section c
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.304
H-Index - 17
ISSN - 2053-2296
DOI - 10.1107/s2053229618001547
Subject(s) - transition metal , pyridine , crystallography , crystal field theory , crystal (programming language) , metal , crystal structure , sulfate , density functional theory , chemistry , physics , materials science , computational chemistry , medicinal chemistry , ion , quantum mechanics , organic chemistry , catalysis , computer science , programming language
The crystal structures of three first‐row transition metal–pyridine–sulfate complexes, namely catena ‐poly[[tetrakis(pyridine‐κ N )nickel(II)]‐μ‐sulfato‐κ 2 O : O ′], [Ni(SO 4 )(C 5 H 5 N) 4 ] n , (1), di‐μ‐sulfato‐κ 4 O : O ‐bis[tris(pyridine‐κ N )copper(II)], [Cu 2 (SO 4 ) 2 (C 5 H 5 N) 6 ], (2), and catena ‐poly[[tetrakis(pyridine‐κ N )zinc(II)]‐μ‐sulfato‐κ 2 O : O ′‐[bis(pyridine‐κ N )zinc(II)]‐μ‐sulfato‐κ 2 O : O ′], [Zn 2 (SO 4 ) 2 (C 5 H 5 N) 6 ] n , (3), are reported. Ni compound (1) displays a polymeric crystal structure, with infinite chains of Ni II atoms adopting an octahedral N 4 O 2 coordination environment that involves four pyridine ligands and two bridging sulfate ligands. Cu compound (2) features a dimeric molecular structure, with the Cu II atoms possessing square‐pyramidal N 3 O 2 coordination environments that contain three pyridine ligands and two bridging sulfate ligands. Zn compound (3) exhibits a polymeric crystal structure of infinite chains, with two alternating zinc coordination environments, i.e. octahedral N 4 O 2 coordination involving four pyridine ligands and two bridging sulfate ligands, and tetrahedral N 2 O 2 coordination containing two pyridine ligands and two bridging sulfate ligands. The observed coordination environments are consistent with those predicted by crystal field theory.