TY - JOUR
T1 - Dimeric Mn(ii), Co(ii), Ni(ii) and Cu(ii) complexes of a common carboxylate-appended (2-pyridyl)alkylamine ligand
T2 - structure, magnetism and DFT study
AU - Manda, Munirathnam
AU - Arora, Himanshu
AU - Sengupta, Arunava
AU - Kant, Shashi
AU - Lloret, Francesc
AU - Mukherjee, Rabindranath
N1 - Publisher Copyright:
© The Royal Society of Chemistry and the Centre National de la Recherche Scientifique 2021.
PY - 2021/9/21
Y1 - 2021/9/21
N2 - Four new complexes of composition [MII2(L3)2(CH3OH)2](ClO4)2(M = Mn,1; Co,2; Ni,3) and [CuII2(L3)2](ClO4)2(4) (L3(−) = 3-[2-(((6-methyl)pyridin-2-yl)methyl){(dimethylamino)ethyl}-amino]propionate) have been synthesized and characterized. Structural analysis reveals that1-4are discretesyn-anticarboxylate-bridged binuclear coordination complexes with a {MII2(-O-C-O-)2}2+structural motif. In1-3distorted octahedral MN3O3and in4distorted square pyramidal CuN3O2coordination is satisfied at each M(ii) center by three N (a pyridyl and two tertiary aliphatic amines) and a carboxylate O of the ligand, and an O of the carboxylate group. In1-3the M(ii) center is also coordinated by a CH3OH molecule. Variable-temperature magnetic measurements reveal the presence of weak antiferromagnetic interactions in1and weak ferromagnetic interactions in2-4. The electronic structure of1-4has been probed by density functional theory (DFT) calculations at the B3LYP level of theory. In order to gain insight into the origin of the observed electronic transitions, time-dependent (TD)-DFT calculations have been done.
AB - Four new complexes of composition [MII2(L3)2(CH3OH)2](ClO4)2(M = Mn,1; Co,2; Ni,3) and [CuII2(L3)2](ClO4)2(4) (L3(−) = 3-[2-(((6-methyl)pyridin-2-yl)methyl){(dimethylamino)ethyl}-amino]propionate) have been synthesized and characterized. Structural analysis reveals that1-4are discretesyn-anticarboxylate-bridged binuclear coordination complexes with a {MII2(-O-C-O-)2}2+structural motif. In1-3distorted octahedral MN3O3and in4distorted square pyramidal CuN3O2coordination is satisfied at each M(ii) center by three N (a pyridyl and two tertiary aliphatic amines) and a carboxylate O of the ligand, and an O of the carboxylate group. In1-3the M(ii) center is also coordinated by a CH3OH molecule. Variable-temperature magnetic measurements reveal the presence of weak antiferromagnetic interactions in1and weak ferromagnetic interactions in2-4. The electronic structure of1-4has been probed by density functional theory (DFT) calculations at the B3LYP level of theory. In order to gain insight into the origin of the observed electronic transitions, time-dependent (TD)-DFT calculations have been done.
UR - http://www.scopus.com/inward/record.url?scp=85115090390&partnerID=8YFLogxK
U2 - 10.1039/d1nj01150b
DO - 10.1039/d1nj01150b
M3 - ???researchoutput.researchoutputtypes.contributiontojournal.article???
AN - SCOPUS:85115090390
SN - 1144-0546
VL - 45
SP - 16019
EP - 16029
JO - New Journal of Chemistry
JF - New Journal of Chemistry
IS - 35
ER -