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Please use this identifier to cite or link to this item: http://repository.iitr.ac.in/handle/123456789/25277
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dc.contributor.authorMaurya, Mannar Ram-
dc.contributor.authorZaluzec E.J.-
dc.contributor.authorPavkovic S.F.-
dc.contributor.authorHerlinger A.W.-
dc.date.accessioned2022-04-22T05:54:39Z-
dc.date.available2022-04-22T05:54:39Z-
dc.date.issued1991-
dc.identifier.citationInorganic Chemistry, 30(19): 3657-3662-
dc.identifier.issn201669-
dc.identifier.urihttps://doi.org/10.1021/ic00019a017-
dc.identifier.urihttp://repository.iitr.ac.in/handle/123456789/25277-
dc.description.abstractThe 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.-
dc.language.isoen_US-
dc.relation.ispartofInorganic Chemistry-
dc.titleAlkaline-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-
dc.typeArticle-
dc.scopusid7005255411-
dc.scopusid6506313264-
dc.scopusid6506036782-
dc.scopusid7003806998-
dc.affiliationMaurya, M.R., Department of Chemistry, Loyola University of Chicago, Chicago, Illinois 60626, United States-
dc.affiliationZaluzec, E.J., Department of Chemistry, Loyola University of Chicago, Chicago, Illinois 60626, United States-
dc.affiliationPavkovic, S.F., Department of Chemistry, Loyola University of Chicago, Chicago, Illinois 60626, United States-
dc.affiliationHerlinger, A.W., Department of Chemistry, Loyola University of Chicago, Chicago, Illinois 60626, United States-
dc.description.funding-
dc.description.correspondingauthorHerlinger, A.W.; Department of Chemistry, , Chicago, Illinois 60626, United States-
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