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Please use this identifier to cite or link to this item: http://repository.iitr.ac.in/handle/123456789/25277
Title: Alkaline-Earth-Metal Complexes of 1,4,8,11-Tetraazacyclotetradecane-1,4,8,11-tetraacetic Acid, H4TETA, and Crystal and Molecular Structure of H4TETA·6H2O and [Mg(H2TETA)(H2O)4]·4H2O
Authors: Maurya, Mannar Ram
Zaluzec E.J.
Pavkovic S.F.
Herlinger A.W.
Published in: Inorganic Chemistry
Abstract: The macrocycle 1,4,8,11-tetraazacyclotetradecane-1,4,8,11-tetraacetic acid, (H4TETA), reacts with alkaline-earth-metal salts in aqueous solutions to form M(H2TETA)·nH2O (M = Mg, n = 2 and 8; M = Ca, n = 2; and M = Sr, n = 2; pH = 6-8), and Ca2TETA-3H2O (pH = 10). IR and NMR spectral studies are reported which show the presence of protonated N and deprotonated carboxylate in these compounds. Crystals suitable for diffraction studies were isolated for H4TETA-6H2O (I) and [Mg-(H2TETA)(H2O)4]-4H2O (II) and their structures are reported. I crystallizes as {-NH(CH2COO)-(CH2)2-N(CH2COOH)-(CH2)3-}2-6H2O in monoclinic space group P21/c with a = 11.6212 (6) Å, b = 14.6659 (8) Å, c = 7.8199 (4) Å, β = 102.445 (2)°, and Z = 2. II crystallizes as [Mg|-NH(CH2COO)-(CH2)2-N(CH2COO)-(CH2)3-)2(H2O)4]n·[4H2O]n in triclinic space group [formula omited]with a = 8.2377 (5) Å, b = 10.0088 (6) Å, c = 9.8980 (6) Å, α = 106.492 (2)°, β = 72.951 (2)°, γ = 113.542 (2)°, and Z = 1. The structures of I and II were solved by direct methods and refined to R = 0.059 and R = 0.036, respectively. Discrete centrosymmetric molecules are present in I as dizwitterions, whereas II consists of chains of centrosymmetric ligands bridging Mg atoms (on inversion centers) via carboxylate O atoms. The macrocycle adopts the same rectangular [3434] conformation in both crystals. However, N atoms occupy different relative positions in I and II, showing that the conformational congruence of the rings is independent of heteroatom location. © 1991, American Chemical Society. All rights reserved.
Citation: Inorganic Chemistry, 30(19): 3657-3662
URI: https://doi.org/10.1021/ic00019a017
http://repository.iitr.ac.in/handle/123456789/25277
Issue Date: 1991
ISSN: 201669
Author Scopus IDs: 7005255411
6506313264
6506036782
7003806998
Author Affiliations: Maurya, M.R., Department of Chemistry, Loyola University of Chicago, Chicago, Illinois 60626, United States
Zaluzec, E.J., Department of Chemistry, Loyola University of Chicago, Chicago, Illinois 60626, United States
Pavkovic, S.F., Department of Chemistry, Loyola University of Chicago, Chicago, Illinois 60626, United States
Herlinger, A.W., Department of Chemistry, Loyola University of Chicago, Chicago, Illinois 60626, United States
Funding Details: 
Corresponding Author: Herlinger, A.W.; Department of Chemistry, , Chicago, Illinois 60626, United States
Appears in Collections:Journal Publications [CY]

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