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Structural and NMR Spectroscopic Investigations of Cu I , Cu II , Ni II , Zn II and Fe II Complexes of 2, 9‐Di‐(Benzothiazolino)‐1,10‐Phenanthroline
Author(s) -
Begum Ameerunisha,
Seewald Oliver,
Flörke Ulrich,
Henkel Gerald
Publication year - 2016
Publication title -
chemistryselect
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.437
H-Index - 34
ISSN - 2365-6549
DOI - 10.1002/slct.201600505
Subject(s) - chemistry , crystallography , ligand (biochemistry) , octahedron , zinc , copper , crystal structure , stereochemistry , nmr spectra database , nuclear magnetic resonance spectroscopy , spectral line , biochemistry , physics , receptor , organic chemistry , astronomy
Synthesis and characterisation of a disubstituted phenanthroline, “dbt‐phen” (“dbt‐phen”, 2,9‐di(benzothiazolino)‐1,10‐phenanthroline) 1 and its Cu I , Cu II , Ni II , Zn II and Fe II complexes are reported. Three different coordination modes of the ligand viz., bis(didentate), tridentate and tetradentate are observed. Under various experimental conditions, 1 forms a double‐stranded dicopper(I)helicate, [Cu I 2 (dbt‐phen) 2 ] 2+ 2 ; a mono(dbt‐phen) copper(II) complex, [Cu II (dbt‐phen)(H 2 O) 2 ] 2+ 3, a Ni II complex [Ni(dbt‐ phen)(NCMe) 2 (OH 2 )] 2+ 4 , a bis(dbt‐phen) zinc(II) complex, [Zn II ( dbt‐phen ) 2 ] 2+ 5 and a pseudo‐octahedral complex [Fe II (dbt‐phen)Br 2 ] 6 . Crystal packing feature of the dicopper helicate [Cu I ( dbt‐phen )] 2 [BF 4 ] 2 , 2 +[BF 4 ] 2 reveals novel short contacts between BF 4 − ions and the hydrogens of the phenyl rings leading to the peculiar double stranded and helical topology. The complex [Cu II ( dbt‐phen )(OH 2 ) 2 (ClO 4 )][ClO 4 ], 3 +[ClO 4 ] exhibits both intra‐ and inter‐molecular H‐bonding interactions. 1 H NMR spectral features of the ligand, copper(I) and zinc(II) complexes indicate that the free ligand and the copper(I) complex retain their solid state structures whereas the zinc(II) complex undergoes structural changes in solution.