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Phosphonate-substituted zirconium oxo clusters.

Czakler M, Schubert U - Monatsh. Chem. (2015)

Bottom Line: The phosphonate-substituted zirconium oxo clusters Zr6O2(OBu)12(O3PPh)4 and Zr7O2(OiPr)12(O3PCH2CH2CH2Br)6, with octahedrally coordinated Zr atoms, were synthesized by reaction of zirconium alkoxides with phosphonic acid bis(trimethylsilyl) esters.The basic structural motif are Zr3O(µ2-OR)3(OR)3 units which are connected in different ways.

View Article: PubMed Central - PubMed

Affiliation: Institute of Materials Chemistry, Vienna University of Technology, Vienna, Austria.

ABSTRACT

Abstract: The phosphonate-substituted zirconium oxo clusters Zr6O2(OBu)12(O3PPh)4 and Zr7O2(OiPr)12(O3PCH2CH2CH2Br)6, with octahedrally coordinated Zr atoms, were synthesized by reaction of zirconium alkoxides with phosphonic acid bis(trimethylsilyl) esters. The basic structural motif are Zr3O(µ2-OR)3(OR)3 units which are connected in different ways.

No MeSH data available.


Molecular structure of Zr6(μ3-O)2(μ2-OBu)6(OBu)6(O3PPh)4 (1). Hydrogen atoms are omitted for clarity. Selected bond lengths/pm and angles/°: Zr(1)-O(1) 211.6(5), Zr(1)-O(2) 214.8(5), Zr(1)-O(3) 214.5(5), Zr(1)-O(5) 192.9(5), Zr(1)-O(8) 209.2(5), Zr(1)-O(11) 209.9(5), Zr(2)-O(1) 208.1(5), Zr(2)-O(2) 215.8(5), Zr(2)-O(4) 215.5(8), Zr(2)-O(6) 192.6(5), Zr(2)-O(9) 210.4(5), Zr(2)-O(13) 207.7(5), Zr(3)-O(1) 208.7(5), Zr(3)-O(3) 215.3(5), Zr(3)-O(4) 215.3(9), Zr(3)-O(7) 193.4(5), Zr(3)-O(10) 209.2(5), Zr(3)-O(12) 209.4(5); Zr(1)-O(1)-Zr(2) 106.1(2), Zr(1)-O(1)-Zr(3) 106.0(2), Zr(2)-O(1)-Zr(3) 109.6(2), Zr(1)-O(2)-Zr(2) 102.3(2), Zr(1)-O(3)-Zr(3) 102.7(2), Zr(2)-O(4)-Zr(3) 104.5(4)
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Fig1: Molecular structure of Zr6(μ3-O)2(μ2-OBu)6(OBu)6(O3PPh)4 (1). Hydrogen atoms are omitted for clarity. Selected bond lengths/pm and angles/°: Zr(1)-O(1) 211.6(5), Zr(1)-O(2) 214.8(5), Zr(1)-O(3) 214.5(5), Zr(1)-O(5) 192.9(5), Zr(1)-O(8) 209.2(5), Zr(1)-O(11) 209.9(5), Zr(2)-O(1) 208.1(5), Zr(2)-O(2) 215.8(5), Zr(2)-O(4) 215.5(8), Zr(2)-O(6) 192.6(5), Zr(2)-O(9) 210.4(5), Zr(2)-O(13) 207.7(5), Zr(3)-O(1) 208.7(5), Zr(3)-O(3) 215.3(5), Zr(3)-O(4) 215.3(9), Zr(3)-O(7) 193.4(5), Zr(3)-O(10) 209.2(5), Zr(3)-O(12) 209.4(5); Zr(1)-O(1)-Zr(2) 106.1(2), Zr(1)-O(1)-Zr(3) 106.0(2), Zr(2)-O(1)-Zr(3) 109.6(2), Zr(1)-O(2)-Zr(2) 102.3(2), Zr(1)-O(3)-Zr(3) 102.7(2), Zr(2)-O(4)-Zr(3) 104.5(4)

Mentions: Crystals of Zr6O2(OBu)12(O3PPh)4 (1, Fig. 1) were obtained when Zr(OBu)4 was reacted with bis(trimethylsilyl)phenylphosphonate in a 2:1 ratio.Fig. 1


Phosphonate-substituted zirconium oxo clusters.

Czakler M, Schubert U - Monatsh. Chem. (2015)

Molecular structure of Zr6(μ3-O)2(μ2-OBu)6(OBu)6(O3PPh)4 (1). Hydrogen atoms are omitted for clarity. Selected bond lengths/pm and angles/°: Zr(1)-O(1) 211.6(5), Zr(1)-O(2) 214.8(5), Zr(1)-O(3) 214.5(5), Zr(1)-O(5) 192.9(5), Zr(1)-O(8) 209.2(5), Zr(1)-O(11) 209.9(5), Zr(2)-O(1) 208.1(5), Zr(2)-O(2) 215.8(5), Zr(2)-O(4) 215.5(8), Zr(2)-O(6) 192.6(5), Zr(2)-O(9) 210.4(5), Zr(2)-O(13) 207.7(5), Zr(3)-O(1) 208.7(5), Zr(3)-O(3) 215.3(5), Zr(3)-O(4) 215.3(9), Zr(3)-O(7) 193.4(5), Zr(3)-O(10) 209.2(5), Zr(3)-O(12) 209.4(5); Zr(1)-O(1)-Zr(2) 106.1(2), Zr(1)-O(1)-Zr(3) 106.0(2), Zr(2)-O(1)-Zr(3) 109.6(2), Zr(1)-O(2)-Zr(2) 102.3(2), Zr(1)-O(3)-Zr(3) 102.7(2), Zr(2)-O(4)-Zr(3) 104.5(4)
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Fig1: Molecular structure of Zr6(μ3-O)2(μ2-OBu)6(OBu)6(O3PPh)4 (1). Hydrogen atoms are omitted for clarity. Selected bond lengths/pm and angles/°: Zr(1)-O(1) 211.6(5), Zr(1)-O(2) 214.8(5), Zr(1)-O(3) 214.5(5), Zr(1)-O(5) 192.9(5), Zr(1)-O(8) 209.2(5), Zr(1)-O(11) 209.9(5), Zr(2)-O(1) 208.1(5), Zr(2)-O(2) 215.8(5), Zr(2)-O(4) 215.5(8), Zr(2)-O(6) 192.6(5), Zr(2)-O(9) 210.4(5), Zr(2)-O(13) 207.7(5), Zr(3)-O(1) 208.7(5), Zr(3)-O(3) 215.3(5), Zr(3)-O(4) 215.3(9), Zr(3)-O(7) 193.4(5), Zr(3)-O(10) 209.2(5), Zr(3)-O(12) 209.4(5); Zr(1)-O(1)-Zr(2) 106.1(2), Zr(1)-O(1)-Zr(3) 106.0(2), Zr(2)-O(1)-Zr(3) 109.6(2), Zr(1)-O(2)-Zr(2) 102.3(2), Zr(1)-O(3)-Zr(3) 102.7(2), Zr(2)-O(4)-Zr(3) 104.5(4)
Mentions: Crystals of Zr6O2(OBu)12(O3PPh)4 (1, Fig. 1) were obtained when Zr(OBu)4 was reacted with bis(trimethylsilyl)phenylphosphonate in a 2:1 ratio.Fig. 1

Bottom Line: The phosphonate-substituted zirconium oxo clusters Zr6O2(OBu)12(O3PPh)4 and Zr7O2(OiPr)12(O3PCH2CH2CH2Br)6, with octahedrally coordinated Zr atoms, were synthesized by reaction of zirconium alkoxides with phosphonic acid bis(trimethylsilyl) esters.The basic structural motif are Zr3O(µ2-OR)3(OR)3 units which are connected in different ways.

View Article: PubMed Central - PubMed

Affiliation: Institute of Materials Chemistry, Vienna University of Technology, Vienna, Austria.

ABSTRACT

Abstract: The phosphonate-substituted zirconium oxo clusters Zr6O2(OBu)12(O3PPh)4 and Zr7O2(OiPr)12(O3PCH2CH2CH2Br)6, with octahedrally coordinated Zr atoms, were synthesized by reaction of zirconium alkoxides with phosphonic acid bis(trimethylsilyl) esters. The basic structural motif are Zr3O(µ2-OR)3(OR)3 units which are connected in different ways.

No MeSH data available.