SYNTHESIS, X-RAY CHARACTERIZATION, NMR AND AB INITIO MOLECULAR-ORBITAL STUDIES OF SOME CADMIUM(II) MACROCYCLIC SCHIFF-BASE COMPLEXES WITH TWO 2-AMINOETHYL PENDANT ARMS

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KEYPOUR H.; KHANMOHAHAMMADI H.; WAINWRIGHT K.P.; TAYLOR M.R.

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Journal Paper

Paper Information

Journal: JOURNAL OF THE IRANIAN CHEMICAL SOCIETY(JICS) Year:2004 | Volume:1 | Issue:1 Page(s): 53-64

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Title

SYNTHESIS, X-RAY CHARACTERIZATION, NMR AND AB INITIO MOLECULAR-ORBITAL STUDIES OF SOME CADMIUM(II) MACROCYCLIC SCHIFF-BASE COMPLEXES WITH TWO 2-AMINOETHYL PENDANT ARMS

Author(s)

KEYPOUR H. | KHANMOHAHAMMADI H. | WAINWRIGHT K.P. | TAYLOR M.R. | Issue Writer Certificate

Keywords

CADMIUM(II) COMPLEXES

SCHIFF-BASE MACROCYCLIC LIGAND

PENDANT ARM

SEVEN COORDINATE

AB INITIO STUDIES

Abstract

Three new PENDANT ARM Schiff-base macrocyclic complexes, [CdLn]2+ (n = 5, 6, 7), have been prepared via cyclocondensation of 2,6-diacetylpyridine with three different branched hexaamines in the presence of Cd(II). The ligands are 15-, 16- and 17-membered pentaaza macrocycles having two 2-aminoethyl PENDANT ARMs [L5 = 2,13-dimethyl-6,9-bis(aminoethyl)-3,6,9,12,18-pentaazabicyclo[12.3.1]octadeca-1(18),2,12,14,16-pentaene, L6 = 2,14-dimethyl-6,10-bis(aminoethyl)-3,6,10,13,19-pentaazabicyclo[13.3.1]nonadeca-1(19),2,13,15,17-pentaene and L7 = 2,15-dimethyl-6,11-bis(aminoethyl)-3,6,11,14,20-pentaazabicyclo[14.3.1]eicosa-1(20),2,14,16,18-pentaene]. All complexes were investigated by IR, 1H and 13C NMR, COSY(H,H) and HETCOR(H,C) spectroscopy and X-ray diffraction. In the solid state structure of each complex the Cd(II) ion is situated centrally within an approximately planar pentaaza macrocyclic ring, binding to the five nitrogen atoms, and also to the two pendant amines which are located on opposite sides of the macrocyclic plane. ab initio HF-MO calculations using a standard 3-21G* basis set have been used to verify that these similar basic structures correspond to energy minima in the gas phase.

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APA: Copy

KEYPOUR, H., KHANMOHAHAMMADI, H., WAINWRIGHT, K.P., & TAYLOR, M.R.. (2004). SYNTHESIS, X-RAY CHARACTERIZATION, NMR AND AB INITIO MOLECULAR-ORBITAL STUDIES OF SOME CADMIUM(II) MACROCYCLIC SCHIFF-BASE COMPLEXES WITH TWO 2-AMINOETHYL PENDANT ARMS. JOURNAL OF THE IRANIAN CHEMICAL SOCIETY(JICS), 1(1), 53-64. SID. https://sid.ir/paper/282005/en

Vancouver: Copy

KEYPOUR H., KHANMOHAHAMMADI H., WAINWRIGHT K.P., TAYLOR M.R.. SYNTHESIS, X-RAY CHARACTERIZATION, NMR AND AB INITIO MOLECULAR-ORBITAL STUDIES OF SOME CADMIUM(II) MACROCYCLIC SCHIFF-BASE COMPLEXES WITH TWO 2-AMINOETHYL PENDANT ARMS. JOURNAL OF THE IRANIAN CHEMICAL SOCIETY(JICS)[Internet]. 2004;1(1):53-64. Available from: https://sid.ir/paper/282005/en

IEEE: Copy

H. KEYPOUR, H. KHANMOHAHAMMADI, K.P. WAINWRIGHT, and M.R. TAYLOR, “SYNTHESIS, X-RAY CHARACTERIZATION, NMR AND AB INITIO MOLECULAR-ORBITAL STUDIES OF SOME CADMIUM(II) MACROCYCLIC SCHIFF-BASE COMPLEXES WITH TWO 2-AMINOETHYL PENDANT ARMS,” JOURNAL OF THE IRANIAN CHEMICAL SOCIETY(JICS), vol. 1, no. 1, pp. 53–64, 2004, [Online]. Available: https://sid.ir/paper/282005/en

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