Synthesis and Crystal Structure of a Neodymium Isopropoxide Chloride, Nd6[OCH(CH3)2]17Cl1

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Neodymium (III) chloride reacts with sodium isopropoxide in isopropyl alcohol to produce a complex which has been characterized by an x-ray crystal structure determination to be hexa-isopropoxy-nona({mu}{sub 2}-isopropoxy)-di-({mu}{sub 3}-isopropoxY)-({mu}{sub 6}-chloro-hexa-neodymium), Nd{sub 6}[OCH(CH{sub 3}){sub 2}]{sub 17}Cl. The pale blue crystals are monoclinic, space group P2{sub 1}/n with cell dimensions a = 24.52(2) {angstrom}, b = 22.60(2) {angstrom}, c = 14.22(1) {angstrom}, and {beta} = 101.05(5){sup o}; for four molecules in the unit cell the calculated density is 1.636 gm/cc. The structure was refined by full-matrix least-squares to a conventional R factor of 0.076 for 2327 data with I > 2{sigma}. The ... continued below

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49 p.

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Andersen, R. A.; Templeton, D. H. & Zalkin, A. December 1, 1977.

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Neodymium (III) chloride reacts with sodium isopropoxide in isopropyl alcohol to produce a complex which has been characterized by an x-ray crystal structure determination to be hexa-isopropoxy-nona({mu}{sub 2}-isopropoxy)-di-({mu}{sub 3}-isopropoxY)-({mu}{sub 6}-chloro-hexa-neodymium), Nd{sub 6}[OCH(CH{sub 3}){sub 2}]{sub 17}Cl. The pale blue crystals are monoclinic, space group P2{sub 1}/n with cell dimensions a = 24.52(2) {angstrom}, b = 22.60(2) {angstrom}, c = 14.22(1) {angstrom}, and {beta} = 101.05(5){sup o}; for four molecules in the unit cell the calculated density is 1.636 gm/cc. The structure was refined by full-matrix least-squares to a conventional R factor of 0.076 for 2327 data with I > 2{sigma}. The six neodymium atoms form a trigonal prism centered about the chloride atom. Six isopropoxide groups are terminal, nine are edge bridging, and two are bridging a trigonal face of the prism yielding six two-coordinate, nine three-coordinate, and two four-coordinate oxygen atoms, respectively. The average Nd-Cl distance is 3.05(1) {angstrom}. The average Nd-O distances for oxygen atoms which are bonded to one, two, and three Nd atoms are 2.05(2) {angstrom}, 2.36(4) {angstrom}, and 2.45(5) {angstrom}, respectively.

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49 p.

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  • Journal Name: Inorganic Chemistry

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  • Report No.: LBL-6988
  • Grant Number: DE-AC02-05CH11231
  • Office of Scientific & Technical Information Report Number: 1004882
  • Archival Resource Key: ark:/67531/metadc835085

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  • December 1, 1977

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  • May 19, 2016, 3:16 p.m.

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  • Oct. 2, 2017, 4:27 p.m.

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Andersen, R. A.; Templeton, D. H. & Zalkin, A. Synthesis and Crystal Structure of a Neodymium Isopropoxide Chloride, Nd6[OCH(CH3)2]17Cl1, article, December 1, 1977; Berkeley, California. (digital.library.unt.edu/ark:/67531/metadc835085/: accessed October 19, 2017), University of North Texas Libraries, Digital Library, digital.library.unt.edu; crediting UNT Libraries Government Documents Department.