A New Dinuclear Cd(II) Macrocyclic Complex of a Schiff Base Ligand: Synthesis, Characterization, NMR and Mass Spectroscopy Investigation and Ab Initio Calculations
In this paper we report the synthesis and characterization of a novel binuclear Cd(II) macrocyclic Schiff base complex [{CdL 22pydfp } 2 NO 3 ](ClO 4 ) 3 . [2+2] cyclocondensation of L 22py = N-(2-pyridylmethyl)-N-(2-aminoethyl)-1,2-diaminoethane and 2,6-diformyl-4-methylphenol, dfp, in the presence...
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Published in | Journal of structural chemistry Vol. 59; no. 4; pp. 968 - 974 |
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Main Authors | , , , |
Format | Journal Article |
Language | English |
Published |
Moscow
Pleiades Publishing
01.07.2018
Springer Nature B.V |
Subjects | |
Online Access | Get full text |
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Summary: | In this paper we report the synthesis and characterization of a novel binuclear Cd(II) macrocyclic Schiff base complex [{CdL
22pydfp
}
2
NO
3
](ClO
4
)
3
. [2+2] cyclocondensation of L
22py
= N-(2-pyridylmethyl)-N-(2-aminoethyl)-1,2-diaminoethane and 2,6-diformyl-4-methylphenol, dfp, in the presence of Cd(NO
3
)
2
·4H
2
O in equimolar ratios gave a new macrocylclic complex. Resulting complex was characterized by NMR, IR spectroscopy, elemental analysis and mass spectrometry. The result of mass spectrum shows that above complex is binuclear. The observed isotopic patterns appeared in mass spectrum is confirmed with calculated patterns. In addition, a theoretical study at DFT (B3LYP) level using standard 6-31+G(
d
) basis sets for ligand atoms and –21G for metals showed that pyridine rings are in the most stable geometrical isomer
trans
position. All bond lengths and angles were obtained from above theoretical calculations. We found that the bond lengths are in normal range. |
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ISSN: | 0022-4766 1573-8779 |
DOI: | 10.1134/S0022476618040327 |