Synthesis and characterization of magnesium and zinc complexes of 1,4,7-triazacyclononane-N-acetate. Potential models for the active site of RuBisCo

Duncan Odom; Christine J. Gramer; Victor G. Young; Scott A. Hilderbrand; Suzanne E. Sherman

doi:10.1016/S0020-1693(99)00387-4

Synthesis and characterization of magnesium and zinc complexes of 1,4,7-triazacyclononane-N-acetate. Potential models for the active site of RuBisCo

Duncan Odom, Christine J. Gramer, Victor G. Young, Scott A. Hilderbrand, Suzanne E. Sherman

Chemistry (Twin Cities)

Research output: Contribution to journal › Article › peer-review

9 Scopus citations

Abstract

Reaction of the tetradentate pendant-arm macrocycle 1,4,7-triazacyclononane-N-acetate (L) with Zn(O₃SCF₃)₂ or Mg(O₃SCF₃)₂ in alcohol produces the six-coordinate complexes [ZnL(H₂O)]O₃SCF₃·C₂H₅OH (1) and [MgL(H₂O)₂]O₃SCF₃ (2). Compounds 1 and 2 were characterized by single-crystal X-ray crystallography. The complex cation of 1 forms a polymeric chain with zinc centers bridged in a syn, anti fashion by acetate pendant arms. The complex cation of 2 is mononuclear, with two adjacent coordination sites on magnesium occupied by water molecules. These labile coordination sites may provide a binding site for activation of substrates in functional modeling of magnesium enzymes such as RuBisCo. ¹H and ¹³C NMR spectroscopy demonstrates that L remains bound to magnesium in methanol solution. Crystal data: 1, orthorhombic, space group P2₁2₁2₁, a = 9.0536(7), b = 14.3750(11), c = 14.4741(11) Å, V = 1883.7(2) Å³, Z = 4, R = 0.041; 2, orthorhombic, space group P2₁2₁2₁, a = 8.5949(3), b = 13.9694(4), c = 14.0076(5) Å, V = 1681.83(10) Å³, Z = 4, R = 0.0248. (C) 2000 Elsevier Science S.A.

Original language	English (US)
Pages (from-to)	404-410
Number of pages	7
Journal	Inorganica Chimica Acta
Volume	297
Issue number	1-2
DOIs	https://doi.org/10.1016/S0020-1693(99)00387-4
State	Published - 2000

Bibliographical note

Funding Information:
Financial support from the American Chemical Society Petroleum Research Fund, Exxon Education Foundation, University of South Florida Division of Sponsored Programs, and the New College Foundation is gratefully acknowledged. Research conducted by CJG was aided by a Grant-in-Aid of Research from the National Academy of Sciences, through Sigma Xi, The Scientific Research Society. The authors thank Dr Paul H. Scudder for many thoughtful contributions to this work.

Keywords

Azamacrocycle complexes
Crystal structures
Magnesium complexes
RuBisCo
Zinc complexes

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@article{94c79360b2c244539f3bc973fba54a2e,

title = "Synthesis and characterization of magnesium and zinc complexes of 1,4,7-triazacyclononane-N-acetate. Potential models for the active site of RuBisCo",

abstract = "Reaction of the tetradentate pendant-arm macrocycle 1,4,7-triazacyclononane-N-acetate (L) with Zn(O3SCF3)2 or Mg(O3SCF3)2 in alcohol produces the six-coordinate complexes [ZnL(H2O)]O3SCF3·C2H5OH (1) and [MgL(H2O)2]O3SCF3 (2). Compounds 1 and 2 were characterized by single-crystal X-ray crystallography. The complex cation of 1 forms a polymeric chain with zinc centers bridged in a syn, anti fashion by acetate pendant arms. The complex cation of 2 is mononuclear, with two adjacent coordination sites on magnesium occupied by water molecules. These labile coordination sites may provide a binding site for activation of substrates in functional modeling of magnesium enzymes such as RuBisCo. 1H and 13C NMR spectroscopy demonstrates that L remains bound to magnesium in methanol solution. Crystal data: 1, orthorhombic, space group P212121, a = 9.0536(7), b = 14.3750(11), c = 14.4741(11) {\AA}, V = 1883.7(2) {\AA}3, Z = 4, R = 0.041; 2, orthorhombic, space group P212121, a = 8.5949(3), b = 13.9694(4), c = 14.0076(5) {\AA}, V = 1681.83(10) {\AA}3, Z = 4, R = 0.0248. (C) 2000 Elsevier Science S.A.",

keywords = "Azamacrocycle complexes, Crystal structures, Magnesium complexes, RuBisCo, Zinc complexes",

author = "Duncan Odom and Gramer, {Christine J.} and Young, {Victor G.} and Hilderbrand, {Scott A.} and Sherman, {Suzanne E.}",

note = "Funding Information: Financial support from the American Chemical Society Petroleum Research Fund, Exxon Education Foundation, University of South Florida Division of Sponsored Programs, and the New College Foundation is gratefully acknowledged. Research conducted by CJG was aided by a Grant-in-Aid of Research from the National Academy of Sciences, through Sigma Xi, The Scientific Research Society. The authors thank Dr Paul H. Scudder for many thoughtful contributions to this work.",

year = "2000",

doi = "10.1016/S0020-1693(99)00387-4",

language = "English (US)",

volume = "297",

pages = "404--410",

journal = "Inorganica Chimica Acta",

issn = "0020-1693",

publisher = "Elsevier BV",

number = "1-2",

}

TY - JOUR

T1 - Synthesis and characterization of magnesium and zinc complexes of 1,4,7-triazacyclononane-N-acetate. Potential models for the active site of RuBisCo

AU - Odom, Duncan

AU - Gramer, Christine J.

AU - Young, Victor G.

AU - Hilderbrand, Scott A.

AU - Sherman, Suzanne E.

N1 - Funding Information: Financial support from the American Chemical Society Petroleum Research Fund, Exxon Education Foundation, University of South Florida Division of Sponsored Programs, and the New College Foundation is gratefully acknowledged. Research conducted by CJG was aided by a Grant-in-Aid of Research from the National Academy of Sciences, through Sigma Xi, The Scientific Research Society. The authors thank Dr Paul H. Scudder for many thoughtful contributions to this work.

PY - 2000

Y1 - 2000

N2 - Reaction of the tetradentate pendant-arm macrocycle 1,4,7-triazacyclononane-N-acetate (L) with Zn(O3SCF3)2 or Mg(O3SCF3)2 in alcohol produces the six-coordinate complexes [ZnL(H2O)]O3SCF3·C2H5OH (1) and [MgL(H2O)2]O3SCF3 (2). Compounds 1 and 2 were characterized by single-crystal X-ray crystallography. The complex cation of 1 forms a polymeric chain with zinc centers bridged in a syn, anti fashion by acetate pendant arms. The complex cation of 2 is mononuclear, with two adjacent coordination sites on magnesium occupied by water molecules. These labile coordination sites may provide a binding site for activation of substrates in functional modeling of magnesium enzymes such as RuBisCo. 1H and 13C NMR spectroscopy demonstrates that L remains bound to magnesium in methanol solution. Crystal data: 1, orthorhombic, space group P212121, a = 9.0536(7), b = 14.3750(11), c = 14.4741(11) Å, V = 1883.7(2) Å3, Z = 4, R = 0.041; 2, orthorhombic, space group P212121, a = 8.5949(3), b = 13.9694(4), c = 14.0076(5) Å, V = 1681.83(10) Å3, Z = 4, R = 0.0248. (C) 2000 Elsevier Science S.A.

AB - Reaction of the tetradentate pendant-arm macrocycle 1,4,7-triazacyclononane-N-acetate (L) with Zn(O3SCF3)2 or Mg(O3SCF3)2 in alcohol produces the six-coordinate complexes [ZnL(H2O)]O3SCF3·C2H5OH (1) and [MgL(H2O)2]O3SCF3 (2). Compounds 1 and 2 were characterized by single-crystal X-ray crystallography. The complex cation of 1 forms a polymeric chain with zinc centers bridged in a syn, anti fashion by acetate pendant arms. The complex cation of 2 is mononuclear, with two adjacent coordination sites on magnesium occupied by water molecules. These labile coordination sites may provide a binding site for activation of substrates in functional modeling of magnesium enzymes such as RuBisCo. 1H and 13C NMR spectroscopy demonstrates that L remains bound to magnesium in methanol solution. Crystal data: 1, orthorhombic, space group P212121, a = 9.0536(7), b = 14.3750(11), c = 14.4741(11) Å, V = 1883.7(2) Å3, Z = 4, R = 0.041; 2, orthorhombic, space group P212121, a = 8.5949(3), b = 13.9694(4), c = 14.0076(5) Å, V = 1681.83(10) Å3, Z = 4, R = 0.0248. (C) 2000 Elsevier Science S.A.

KW - Azamacrocycle complexes

KW - Crystal structures

KW - Magnesium complexes

KW - RuBisCo

KW - Zinc complexes

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U2 - 10.1016/S0020-1693(99)00387-4

DO - 10.1016/S0020-1693(99)00387-4

M3 - Article

AN - SCOPUS:0033797354

SN - 0020-1693

VL - 297

SP - 404

EP - 410

JO - Inorganica Chimica Acta

JF - Inorganica Chimica Acta

IS - 1-2

ER -

Synthesis and characterization of magnesium and zinc complexes of 1,4,7-triazacyclononane-N-acetate. Potential models for the active site of RuBisCo

Abstract

Bibliographical note

Keywords

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