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Mizukami S Houjou H Nagawa Y Kanesato M 《Chemical communications (Cambridge, England)》2003,(10):1148-1149
The structure of a tetra-coordinated zinc(II) complex with a salen ligand was determined for the first time; unexpectedly, the complex was an interesting 2:2 metal-to-ligand complex. 相似文献
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The title compound was prepared from the (p-cymene)ruthenium chloride dimer and thioglycollic acid. The structure is a centrosymmetric dimer bridged by the soft-base S atoms, with the hard-base O atoms of the carboxylate group chelating to form a five-membered twisted-ring. The coordination of the ruthenium atoms is completed by a η6-p-cymene ligand, giving an 18-electron count. The Ru–S bonds are essentially equal at 2.396(1) Å. 相似文献
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Cheruzel LE Wang J Mashuta MS Buchanan RM 《Chemical communications (Cambridge, England)》2002,(18):2166-2167
A novel amide functionalized polyimidazole tripod ligand has been synthesized and used to prepare a mononuclear Fe(III) complex that has been characterized by X-ray crystallography and other physical methods. 相似文献
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Ligand substitution kinetics for the reaction [PtIVMe3(X)(NN)]+NaY=[PtIVMe3(Y)(NN)]+NaX, where NN=bipy or phen, X=MeO−, CH3COO−, or HCOO−, and Y=SCN− or N3−, has been studied in methanol at various temperatures. The kinetic parameters for the reaction are as follows. The reaction of [PtMe3(OMe)(phen)] with NaSCN: k1=36.1±10.0 s−1; ΔH1≠=65.9±14.2 kJ mol−1; ΔS1≠=6±47 J mol−1 K−1; k−2=0.0355±0.0034 s−1; ΔH−2≠=63.8±1.1 kJ mol−1; ΔS−2≠=−58.8±3.6 J mol−1 K−1; and k−1/k2=148±19. The reaction of [PtMe3(OAc)(bipy)] with NaN3: k1=26.2±0.1 s−1; ΔH1≠=60.5±6.6 kJ mol−1; ΔS1≠=−14±22 J mol−1K−1; k−2=0.134±0.081 s−1; ΔH−2≠=74.1±24.3 kJ mol−1; ΔS−2≠=−10±82 J mol−1K−1; and k−1/k2=0.479±0.012. The reaction of [PtMe3(OAc)(bipy)] with NaSCN: k1=26.4±0.3 s−1; ΔH1≠=59.6±6.7 kJ mol−1; ΔS1≠=−17±23 J mol−1K−1; k−2=0.174±0.200 s−1; ΔH−2≠=62.7±10.3 kJ mol−1; ΔS−2≠=−48±35 J mol−1K−1; and k−1/k2=1.01±0.08. The reaction of [PtMe3(OOCH)(bipy)] with NaN3: k1=36.8±0.3 s−1; ΔH1≠=66.4±4.7 kJ mol−1; ΔS1≠=7±16 J mol−1K−1; k−2=0.164±0.076 s−1; ΔH−2≠=47.0±18.1 kJ mol−1; ΔS−2≠=−101±61 J mol−1 K−1; and k−1/k2=5.90±0.18. The reaction of [PtMe3(OOCH)(bipy)] with NaSCN: k1 =33.5±0.2 s−1; ΔH1≠=58.0±0.4 kJ mol−1; ΔS1≠=−20.5±1.6 J mol−1 K−1; k−2=0.222±0.083 s−1; ΔH−2≠=54.9±6.3 kJ mol−1; ΔS−2≠=−73.0±21.3 J mol−1 K−1; and k−1/k2=12.0±0.3. Conditional pseudo-first-order rate constant k0 increased linearly with the concentration of NaY, while it decreased drastically with the concentration of NaX. Some plausible mechanisms were examined, and the following mechanism was proposed. [Note to reader: Please see article pdf to view this scheme.] © 1998 John Wiley & Sons, Inc. Int J Chem Kinet 30: 523–532, 1998 相似文献
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W. -K. Dong Y. -X. Sun J. Yao L. Wang X. -Y. Dong X. -H. Gao 《Journal of Structural Chemistry》2013,54(3):613-618
A new trinuclear Ni(II) complex {[NiL(DMF)]2(OAc)2Ni}·2DMF (H2L = 4,4′-dichloro-2,2′-[(1,3-propylene)dioxybis(nitrilomethylidyne)]diphenol) is synthesized and characterized by elemental analyses, IR spectra, UV-Vis spectra and X-ray crystallography. The results show that the Ni(II) complex consists of three Ni(II) ions, two tetradentate (μ-L)2? units, two coordinated μ-acetate ions, two coordinated DMF molecules, and two crystallization DMF molecules. All hexacoordinated Ni(II) ions of the complex have a slightly distorted octahedral geometry. The crystal packing of the Ni(II) complex reveals a notable feature of this structure: the formation of an infinite supramolecular 2D layered structure by virtue of intermolecular C-H…O hydrogen bonding. 相似文献
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DFT calculations on the spin-crossover complex Fe(salen)(NO) provide a striking illustration of the comparative performance of different exchange-correlation functionals vis-à-vis the issue of transition metal spin state energetics. Thus, although the "classic" pure functionals PW91 and BLYP favor the S = 1/2 state by about 10 kcal/mol, relative to the S = 3/2 state, the hybrid functional B3LYP favors the latter state by nearly the same margin. In contrast, the newer pure functionals OLYP and OPBE, based on the OPTX exchange functional, as well as the B3LYP* hybrid functional (which has 15% Hartree-Fock exchange, compared with 20% for B3LYP) predict nearly isoenergetic S = 1/2 and 3/2 states, as required for a spin-crossover complex. Intriguingly, the OLYP and B3LYP* spin density profiles for the S = 1/2 state of Fe(salen)(NO) are substantially dissimilar. 相似文献
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Koridze A. A. Kuklin S. A. Sheloumov A. M. Kondrashov M. V. Dolgushin F. M. Ezernitskaya M. G. Petrovskii P. V. Vorontsov E. V. 《Russian Chemical Bulletin》2003,52(12):2757-2759
Russian Chemical Bulletin - 相似文献
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Li Y Wilson JJ Do LH Apfel UP Lippard SJ 《Dalton transactions (Cambridge, England : 2003)》2012,41(31):9272-9275
A triptycene-based bis(benzoxazole) diacid ligand H(2)L2(Ph4) bearing sterically encumbering groups was synthesized. Treatment of H(2)L2(Ph4) with Fe(OTf)(3) afforded a C(2)-symmetric trinuclear iron(III) complex, [NaFe(3)(L2(Ph4))(2)(μ(3)-O)(μ-O(2)CCPh(3))(2)(H(2)O)(3)](OTf)(2) (8). The triiron core of this complex adopts the well known "basic iron acetate" structure where the heteroleptic carboxylates, comprising two Ph(3)CCO(2)(-) and two (L2(Ph4))(2-) ligands, donate the six carboxylate bridges. The (L2(Ph4))(2-) ligand undergoes only minor conformational changes upon formation of the complex. 相似文献
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Mohammad Azam Saud I. Al-Resayes Agata Trzesowska-Kruszynska Rafal Kruszynski S.F. Adil N.K. Lokanath 《Journal of Saudi Chemical Society》2019,23(5):636-641
A new derivative of dioxouranium(VI) salen complex, [UO2(L)(pyridine)], where [L = N,N′-Bis(2-hydroxybenzylidene)-2,2-dimethyl-1,3-propanediamine] is synthesized and characterized by elemental analysis (C, H, N), FT-IR, ESI-MS spectrometry, UV/Vis, fluorescence, 1H and 13C NMR spectroscopy and thermal gravimetric (TG) study. Furthermore, the single crystal X-ray diffraction measurements of the complex were carried out at 100 and 273 K. The crystal structure measurements revealed that the complex has distorted pentagonal bipyramidal geometry with uranium atom located at the centre and bonded to two phenoxy oxygen and two azomethine nitrogen in tetradenate fashion and one nitrogen from pyridine making it seven coordinated. In addition, the photoluminescence property of the complex was also recorded. 相似文献
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Wenqian Xu John B. Parise 《Acta Crystallographica. Section C, Structural Chemistry》2011,67(5):i30-i32
Ferric sulfate trihydrate has been synthesized at 403 K under hydrothermal conditions. The structure consists of quadruple chains of [Fe2(SO4)3(H2O)3] parallel to [010]. Each quadruple chain is composed of equal proportions of FeO4(H2O)2 octahedra and FeO5(H2O) octahedra sharing corners with SO4 tetrahedra. The chains are joined to each other by hydrogen bonds. This compound is a new hydration state of Fe2(SO4)3·nH2O; minerals with n = 0, 5, 7.25–7.75, 9 and 11 are found in nature. 相似文献
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Ž. K. Jaćimović V. M. Leovac G. Giester Z. D. Tomić Katalin Mészáros Szécsényi 《Journal of Thermal Analysis and Calorimetry》2007,90(2):549-555
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scope of design and optimise the equipment for alcoholic distillate beverages
production, a sufficient knowledge of physical properties and phase equilibria
is necessary. In this paper we present the temperature dependence of excess
molar volumes of the ternary system ethanol+water+1-propanol at the range
288.15–323.15 K and atmospheric pressure, due to the importance of the
1-propanol among the flavour compounds contained into this type of beverages.
Derived properties were computed due to its importance in the study of specific
molecular interactions. 相似文献