Five-coordinate complexes of 21-thiaporphyrin. Preparations, spectra, and structures of iron(II), nickel(II), and copper(II) complexes

Latos‐Grażyński, Lechosław; Lisowski, Jerzy; Olmstead, Marilyn M.; Balch, Alan L.

doi:10.1021/ic00305a032

Cited by 117 publications

(119 citation statements)

References 6 publications

(6 reference statements)

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“…Cu1 lies 0.2637 Å out of the basal least-squares plane comprising of S1, N1, N2 and Cl1. The Cu1-Cl1 distance of 2.2210(9) Å [22], the Cu1ÁÁÁCu2 distance of 4.632 Å in 1 is slightly shorter. As for the ligand H 2 L 1 , it has evidently lost two protons and acts as a pentadentate ligand by chelating two copper atoms in fused 5-5-5 rings.…”

Section: Resultsmentioning

confidence: 90%

Synthesis, structural characterization and thermal properties of three copper(II) complexes based on aryl hydrazide ligands

Zhao

Dou

et al. 2011

Transition Met Chem

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The thiosemicarbazide and hydrazide Cu(II) complexes, [Cu 3 L 2 1 (py) 4 Cl 2 ] (1), [Cu(HL 2 )py] (2) and [Cu(HL 3 )py] (3), (H 2 L 1 = 1-picolinoylthiosemicarbazide, H 3 L 2 = N 0 -(2-hydroxybenzylidene)-3-hydroxy-2-naphthohydrazide, H 3 L 3 = 2-hydroxy-N 0 -((2-hydroxy-naphthalen-1-yl)methylene)benzohydrazide) have been prepared and characterized through physicochemical and spectroscopic methods as well as X-ray crystallography. Complex 1 has a centrosymmetric structure with -N-N-bridged Cu 3 skeleton. Neighboring molecules are linked into a 3D supermolecular framework by p-p stacking interactions, N-HÁÁÁCl and C-HÁÁÁCl hydrogen bonds. Complexes 2 and 3 have similar planar structures but different dimers formed by concomitant CuÁÁÁN and CuÁÁÁO interactions, respectively. Solvent accessible voids with a volume of 391 Å 3 are included in the structure of complex 2, indicating that this complex is a potential host candidate. Thermogravimetric analysis shows that the three complexes are stable up to 100°C.

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Section: Resultsmentioning

confidence: 90%

Synthesis, structural characterization and thermal properties of three copper(II) complexes based on aryl hydrazide ligands

Zhao

Dou

et al. 2011

Transition Met Chem

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“…[87] The 1 H NMR spectrum of [(HCPH)Fe II Br] is substantially similar to the spectra of high-spin iron(II) core-modified porphyrins. [14,16,89] = 1090 ppm). To the best of our knowledge these are the largest chemical shifts reported thus far for iron porphyrins or iron porphyrin derivatives [7,90,91] and are even larger than the extreme chemical shifts determined for paramagnetic compounds, including σ-aryl complexes of nickel(II) heteroporphyrins (e.g.…”

Section: Remarkable Paramagnetically Shifted 1 H and 2 H Nmr Spectra mentioning

confidence: 98%

“…[11,89,95] The paramagnetic shifts of [(HCPH)Fe II Br] can be explained by a model that is typically applied to high-spin iron(II) porphyrins and iron(II) N-substituted porphyrins. In the case of a high-spin iron(II) center…”

Section: Thementioning

confidence: 99%

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NMR Studies of Paramagnetic Metallocarbaporphyrinoids

Pacholska‐Dudziak

Latos‐Grażyński

2007

Eur J Inorg Chem

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Carbaporphyrinoids provide a suitable macrocyclic platform for organometallic investigations that provide unique opportunities for modifying a macrocyclic structure. Alteration of a coordination core is a route of choice for stabilizing unusual metal ion oxidation states and coordination geometries. This microreview presents the general characteristic of paramagnetic metallocarbaporphyrinoids, with a focus on NMR studies. NMR spectroscopy of paramagnetic molecules can be considered as a powerful probe of several intriguing aspects of the molecular and electronic structures, structural rearrangements, and reactivity, including oxidation and oxygenation, of this fascinating class of compounds. The chosen

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“…The addition of NiCl 2 in methanol solution to a ligand in chloroform solution gave the five-coordinate SDTDPPNi(II)Cl [19,15]. After 8 h of heating under reflux, the solution was cooled and the solvent was evaporated under vacuum.…”

Section: Synthesismentioning

confidence: 99%

Vibrational analysis of Ni(II) complex with 4,12-ditolyl-16,24-diphenyl-3-thiaporphyrin (SDTDPPNi(II)Cl) and its isotopic labeled (⁶¹Ni(II), −d₆, and −d₁₀) derivatives

Podstawka

Fościak

Chmielewski

et al. 2007

J. Porphyrins Phthalocyanines

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This work presents complete vibrational analysis of a chloride complex of Ni(II) 4,12-ditolyl-16,24-diphenyl-3-thiaporphyrin (SDTDPPNi(II)Cl) and its isotopic derivatives ( 61 Ni(II), -d 6 , and -d 10 ). Five-coordinate SDTDPPNi(II)Cl, SDTDPP 61 Ni(II)Cl, (SDTDPP-d 6 )Ni(II)Cl, and (SDTDPP-d 10 )Ni(II)Cl were investigated by Fourier-Transform infrared (FT-IR), resonance Raman (RR), and electronic absorption (UV-vis) methods. Because the methyl groups of tolyl rings at the para-position have negligible influence on geometry and vibrational spectra of SDTDPPNi(II)Cl, they can be treated as point groups. Thus, geometry optimization and vibrational frequencies were calculated for the 4,12,16,24-tetraphenyl-3-thiaporphyrin (STPPNi(II)Cl) model molecule and its isotopically labeled analogs using Gaussian'03. Moreover, charge distributions (General Atomic Polar Tensor -GAPT) and geometrical aromaticity indexes (Bird's I 5 and Harmonic Oscillator Model of Aromaticity -HOMA) were calculated. All theoretical calculations were performed at the B3LYP level with the LANL2DZ basis set. As is shown, the experimental FT-IR and RR spectra for each compound are reproduced well by the corresponding theoretical spectra.

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Five-coordinate complexes of 21-thiaporphyrin. Preparations, spectra, and structures of iron(II), nickel(II), and copper(II) complexes

Cited by 117 publications

References 6 publications

Synthesis, structural characterization and thermal properties of three copper(II) complexes based on aryl hydrazide ligands

Synthesis, structural characterization and thermal properties of three copper(II) complexes based on aryl hydrazide ligands

NMR Studies of Paramagnetic Metallocarbaporphyrinoids

Vibrational analysis of Ni(II) complex with 4,12-ditolyl-16,24-diphenyl-3-thiaporphyrin (SDTDPPNi(II)Cl) and its isotopic labeled (⁶¹Ni(II), −d₆, and −d₁₀) derivatives

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Five-coordinate complexes of 21-thiaporphyrin. Preparations, spectra, and structures of iron(II), nickel(II), and copper(II) complexes

Cited by 117 publications

References 6 publications

Synthesis, structural characterization and thermal properties of three copper(II) complexes based on aryl hydrazide ligands

Synthesis, structural characterization and thermal properties of three copper(II) complexes based on aryl hydrazide ligands

NMR Studies of Paramagnetic Metallocarbaporphyrinoids

Vibrational analysis of Ni(II) complex with 4,12-ditolyl-16,24-diphenyl-3-thiaporphyrin (SDTDPPNi(II)Cl) and its isotopic labeled (61Ni(II), −d6, and −d10) derivatives

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Vibrational analysis of Ni(II) complex with 4,12-ditolyl-16,24-diphenyl-3-thiaporphyrin (SDTDPPNi(II)Cl) and its isotopic labeled (⁶¹Ni(II), −d₆, and −d₁₀) derivatives