F-19 NMR-SPECTRA AND STRUCTURES OF HALOGENATED PORPHYRINS

被引：114

作者：

BIRNBAUM, ER ^{[1
]}

HEDGE, JA ^{[1
]}

GRINSTAFF, MW ^{[1
]}

SCHAEFER, WP ^{[1
]}

HENLING, L ^{[1
]}

LABINGER, JA ^{[1
]}

BERCAW, JE ^{[1
]}

GRAY, HB ^{[1
]}

机构：

[1] CALTECH,ARTHUR AMOS NOYES LAB CHEM PHYS,PASADENA,CA 91125

来源：

INORGANIC CHEMISTRY | 1995年 / 34卷 / 14期

关键词：

D O I：

10.1021/ic00118a010

中图分类号：

O61 [无机化学];

学科分类号：

070301 ; 081704 ;

摘要：

Fluorine-19 NMR spectra of a series of halogenated porphyrins have been used to create a spectral library of different types of fluorine splitting patterns for tetrakis(pentafluorophenyl) porphyrins (TFPP) complexed with diamagnetic and paramagnetic metal ions. The paramagnetic shift, line broadening, and fine structure of the resonances from the peripheral pentafluorophenyl rings are dependent on the symmetry and core environment of the porphyrin macrocycles. In combination with crystal structure data, F-19 NMR helps define the behavior of halogenated porphyrins in solution. Six new crystal structures for TFPP and octahalo-TFPP derivatives are reported: H2TFPP in rhombohedral space group R (3) over bar, a = 20.327(4) Angstrom, c = 24.368(5) Angstrom, V = 8720(3) Angstrom(3), Z = 9; ZnTFPP in monoclinic space group P2(1)/c, a = 12.653(4) Angstrom, b = 11.883(5) Angstrom, c = 15.261(2) Angstrom, beta = 103.87(2)degrees, V = 2227.6(13) Angstrom(3), Z = 2; CuTFPP in rhombohedral space group R (3) over bar, a = 20.358(5), c = 24.347(6) Angstrom, V = 8739(4) Angstrom(3), Z = 9; H2TFPPCl8 in triclinic space group P (1) over bar, a = 11.066(1) Angstrom, b = 14.641(3) Angstrom, c = 14.678(2) Angstrom, alpha = 88.97(1), beta = 76.05(1)degrees, gamma = 71.29(1)degrees, V = 2181.4(6) Angstrom(3), Z = 2; ZnTFPPCl8 in tetragonal space group P (4) over bar 2(1)c, a = 19.502(20), c = 10.916(8) Angstrom, V = 4152(6) Angstrom(3), Z = 2; H2TFPPBr8 in monoclinic space group C2, a = 27.634(6) Angstrom, b = 6.926(2) Angstrom, c = 14.844(3) Angstrom, beta = 109.64(2)degrees, V = 2675.8(11) Angstrom(3), Z = 2.

引用

页码：3625 / 3632

页数：8

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