Organically-Templated Zinc Hydrogen Phosphites: Syntheses, Structures and Properties of {alpha}- and {Beta}-ZnHOP{sub 3}{center_dot}N{sub 4}C{sub 2}H{sub 4}

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The syntheses, crystal structures and some properties of {alpha}- and {beta}-ZnHPO{sub 3}{center_dot}N{sub 4}C{sub 2}H{sub 4} are reported. These two polymorphs are the first organically-templated hydrogen phosphites. They are built up from vertex-sharing HPO{sub 3} pseudo pyramids and ZnO{sub 3}N tetrahedra, where the Zn-N bond represents a direct link between zinc and the neutral 2-cyanoguanidine template. {alpha}-ZnHPO{sub 3}{center_dot}N{sub 4}C{sub 2}H{sub 4} is built up from infinite layers of vertex-sharing ZnO{sub 3}N and HPO{sub 3} groups forming 4-rings and 8-rings. {beta}-ZnHPO{sub 3}{center_dot}N{sub 4}C{sub 2}H{sub 4} has strong one-dimensional character, with the polyhedral building units forming 4-ring ladders. Similarities and differences to related ... continued below

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14 p.

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HARRISON,WILLIAM T.A.; PHILLIPS,MARK L.F.; STANCHFIELD,JESSE & NENOFF,TINA M. July 14, 2000.

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  • Sandia National Laboratories
    Publisher Info: Sandia National Labs., Albuquerque, NM, and Livermore, CA (United States)
    Place of Publication: Albuquerque, New Mexico

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The syntheses, crystal structures and some properties of {alpha}- and {beta}-ZnHPO{sub 3}{center_dot}N{sub 4}C{sub 2}H{sub 4} are reported. These two polymorphs are the first organically-templated hydrogen phosphites. They are built up from vertex-sharing HPO{sub 3} pseudo pyramids and ZnO{sub 3}N tetrahedra, where the Zn-N bond represents a direct link between zinc and the neutral 2-cyanoguanidine template. {alpha}-ZnHPO{sub 3}{center_dot}N{sub 4}C{sub 2}H{sub 4} is built up from infinite layers of vertex-sharing ZnO{sub 3}N and HPO{sub 3} groups forming 4-rings and 8-rings. {beta}-ZnHPO{sub 3}{center_dot}N{sub 4}C{sub 2}H{sub 4} has strong one-dimensional character, with the polyhedral building units forming 4-ring ladders. Similarities and differences to related zinc phosphates are discussed. Crystal data: {alpha}-ZnHPO{sub 3}{center_dot}N{sub 4}C{sub 2}H{sub 4}, M{sub r} = 229.44, monoclinic, P2{sub 1}/c, a = 9.7718 (5) {angstrom}, b = 8.2503 (4) {angstrom}, c = 9.2491 (5) {angstrom}, {beta} = 104.146 (1){sup 0}, V = 723.1 (1) {angstrom}{sup 3}, R(F) = 2.33%, wR(F) = 2.52%. {beta}-ZnHPO{sub 3}{center_dot}N{sub 4}C{sub 2}H{sub 4}, M{sub r} = 229.44, monoclinic, C2/c, a = 14.5092 (9) {angstrom}, b = 10.5464 (6) {angstrom}, c = 10.3342 (6) {angstrom}, {beta} = 114.290 (1){sup 0}, V = 1441.4 (3) {angstrom}{sup 3}, R(F) = 3.01%, wR(F) = 3.40%.

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14 p.

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OSTI as DE00759983

Medium: P; Size: 14 pages

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  • Journal Name: Inorganic Chemistry; Other Information: Submitted to Inorganic Chemistry

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  • Report No.: SAND2000-1897J
  • Grant Number: AC04-94AL85000
  • Office of Scientific & Technical Information Report Number: 759983
  • Archival Resource Key: ark:/67531/metadc704371

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  • July 14, 2000

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  • Sept. 12, 2015, 6:31 a.m.

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  • April 7, 2017, 2:37 p.m.

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HARRISON,WILLIAM T.A.; PHILLIPS,MARK L.F.; STANCHFIELD,JESSE & NENOFF,TINA M. Organically-Templated Zinc Hydrogen Phosphites: Syntheses, Structures and Properties of {alpha}- and {Beta}-ZnHOP{sub 3}{center_dot}N{sub 4}C{sub 2}H{sub 4}, article, July 14, 2000; Albuquerque, New Mexico. (digital.library.unt.edu/ark:/67531/metadc704371/: accessed June 21, 2018), University of North Texas Libraries, Digital Library, digital.library.unt.edu; crediting UNT Libraries Government Documents Department.