Diverse solid-state and solution structures within a series of hexaamine dicopper(II) complexes
Diverse solid-state and solution structures within a series of hexaamine dicopper(II) complexes
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DOI：
10.1021/ic000928s
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发表时间：
2001-03-12
影响因子：
4.6
通讯作者：
Bernhardt, PV
中科院分区：
文献类型：
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作者：
Bernhardt, PV
合成了一系列潜在桥联六胺配体的单铜和双铜(II)配合物，并用X-射线单晶衍射法对其进行了固态表征。报道了下列铜-II配合物的晶体结构：[Cu(HL3)](ClO4)(3)，C11H31Cl3CuN6O12，单斜晶系，P2(1)/n，a=8.294(2)Angstrom，b=18.364(3)Angstrom，c=15.674(3)Angstrom，β=94.73(2)度，Z=4；{[Cu2(L-4)(CO3)](2)}(ClO4)(4)。4H(2)O，C40H100Cl4Cu4N12O26，三斜，P(1)，a=9.4888(8)埃，b=13.353(1)埃。C=111.250(1)埃，α=111.250(7)度，β=90.068(8)度，伽马=105.081(8)度，Z=1；[铜-2(L-5)(氢氧化氢)(2)](ClO_4)(4)，C(13)H(36)Cl(4)铜(2)Z(6)O(18)，单斜晶系，P2(1)/c，a=7.225(2)埃。B=8.5555(5)埃，c=23.134(8)埃，β=92.37(1)度，Z=2；[Cu-2(L-6)(OH)(2)](ClO4)(4)。H(2)O，C14H44Cl4Cu2N6O21，单斜晶系，P2(1)/a，a=15.204(5)Angstrom，b=7.6810(7)Angstrom，c=29.370(1)Angstrom，β=29.370(2)度，Z=4。溶液光谱性质表明，双金属络合物在溶解时发生了显著的构象变化，并用电子顺磁共振光谱和分子力学计算进行了探讨。
Mono- and dicopper(II) complexes of a series of potentially bridging hexaamine ligands have been prepared and characterized in the solid state by X-ray crystallography. The crystal structures of the following Cu-II complexes are reported: [Cu(HL3)](ClO4)(3), C11H31Cl3CuN6O12, monoclinic, P2(1)/n, a = 8.294(2) Angstrom, b = 18.364(3) Angstrom, c = 15.674(3) Angstrom, beta = 94.73(2)degrees, Z = 4; {[Cu-2(L-4)(CO3)](2)}(ClO4)(4). 4H(2)O, C40H100Cl4Cu4N12O26, triclinic, P (1) over bar, a = 9.4888(8) Angstrom, b=13.353(1) Angstrom,. c = 15.329(1) Angstrom, alpha = 111.250(7)degrees, beta = 90.068(8)degrees, gamma = 105.081(8)degrees, Z=1; [Cu-2(L-5)(OH2)(2)](ClO4)(4), C(13)H(36)Cl(4)Cu(2)Z(6)O(18), monoclinic, P2(1)/c, a = 7.225(2) Angstrom. b = 8.5555(5) Angstrom, c = 23.134(8) Angstrom, beta = 92.37(1)degrees, Z = 2; [Cu-2(L-6)(OH2)(2)](ClO4)(4). 3H(2)O, C14H44Cl4Cu2N6O21, monoclinic, P2(1)/a, a = 15.204(5) Angstrom, b = 7.6810(7) Angstrom, c = 29.370(1) Angstrom, beta = 100.42(2)degrees, Z = 4. Solution spectroscopic properties of the bimetallic complexes indicate that significant conformational changes occur upon dissolution, and this has been probed with EPR spectroscopy and molecular mechanics calculations.