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41.
42.
Irene Carpani Mario Berrettoni Massimo Gazzano 《Journal of solid state chemistry》2006,179(12):3981-3988
A Ni, Al hydrotalcite-like compound (Htlc) has been proven an useful host material for an alternative synthesis of a K+-free mixed hexacyanoferrate Ni1.5FeIII(CN)6, which is very difficult to obtain in bulk. The first stage of the procedure consists in the intercalation of hexacyanoferrate(III) inside the Htlc structure. The intercalated Htlc has been treated with a NiNO3 solution. The obtained material has been characterized by XRD, XAS Raman and FT-IR spectroscopy. The voltammetric response of the compound obtained after the complete solubilization of the Htlc host shows a typical fingerprint of nickel hexacyanoferrate material with a very low level of potassium. Elemental analysis confirmed the absence of K+ and thus the occurrence of K+-free nickel hexacyanoferrate (14% yield). 相似文献
43.
Giuliana Biagi Irene Giorgi Oreste Livi Clementina Manera Valerio Scartoni 《Journal of heterocyclic chemistry》1997,34(1):65-69
Some new 1,2,3-triazolo[4,5-d]-1,2,4-triazolo[4,3-b]pyridazines were prepared starting from the corresponding 1,2,3-triazolo[4,5-d]pyridazines via the formation of the 1,2,4-triazole ring, by condensation of an appropriate monocarbon fragment with the 4-hydrazino substituent and the nitrogen atom in the 5 position of the heterocycle. Condensation of 4-phenylhydrazino substituted derivatives with formic acid gave zwitterionic compounds. 相似文献
44.
Energies and transition dipole moments for the lower electronic transitions in the terphenyl and quaterphenyl di-valent ions have been calculated starting from the Pople SCF MO's for the ground state ions. The configuration interaction included about one-hundred singly and doubly excited configurations. The results of the calculations for the lower allowed electronic transitions are in very satisfactory agreement with the experimental spectra. 相似文献
45.
Previously a new universal lambda-integration path and associated methodology was developed for the calculation of "exact" surface and interfacial free energies of solids. Such a method is in principle applicable to any intermolecular potential function, including those based on ab initio methods, but in previous work the method was only tested using a relatively simple embedded atom method iron potential. In this present work we apply the new methodology to the more sophisticated and more accurate modified embedded atom method (MEAM) iron potential, where application of other free- energy methods would be extremely difficult due to the complex many-body nature of the potential. We demonstrate that the new technique simplifies the process of obtaining "exact" surface free energies by calculating the complete set of these properties for the low index surface faces of bcc and fcc solid iron structures. By combining these data with further calculations of liquid surface tensions we obtain the first complete set of exact surface free energies for the solid and liquid phases of a realistic MEAM model system. We compare these predictions to various experimental and theoretical results. 相似文献
46.
The (17R,20S,22S,24S) C20-C29 segment of contignasterol has been stereoselectively prepared in 8 steps and 40% overall yield from (S)-carvone. Synthetic studies towards contignasterol's C/D ring functionalization/isomerization are also reported. 相似文献
47.
Giuliana Biagi Irene Giorgi Oreste Livi Federica Pacchini Valerio Scartoni Oreste Leroy Salerni 《Journal of heterocyclic chemistry》2004,41(4):581-585
Title compounds bearing substituents on C(2), C(6) and C(8) were prepared from a newly synthesized pyrimidine derivative 11. The new pyrimidine 11 was generated from compound 2 through two different synthetic schemes. In one pathway, compound 2 was nitrosated, reduced and alkylated to produce com pounds 9 , 10 and 11 respectively (Scheme). In an alternate route using compound 2 as the starting material, a coupling reaction using the diazonium salt derived from p‐methylaniline afforded the azo derivative 7 , which was subsequently alkylated and reductively cleaved to form compounds 8 and 11 respectively (See Scheme). Compound 11 was annulated to the corresponding hypoxanthine derivatives 12–14 ; compounds 12 and 13 were chlorinated with phosphorus oxychloride, then reacted with amines to yield compound 17 and 20 respectively. Compounds 21 , 22 and 23 were obtained by oxidation of the corresponding sulfide as depicted in Scheme. Alkylation of the thiol function of 1 gave a mixture of 3 and 4. Compound 3 was chlo rinated to 5. Nitration of 5 resulted in electrophilic aromatic substitution of the aryl ring and concomitant oxidation of the sulfide to the sulfoxide, producing 6. 相似文献
48.
Nikolaos C. Papandreou Stella Makedonopoulou Ekaterini A. Antoniadou‐Vyza Irene M. Mavridis Stavros J. Hamodrakas 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(12):o730-o732
The title salt, C18H22N5+·Cl?, is a member of a new series of lipophilic 4,6‐diamino spiro‐s‐triazines which are potent inhibitors of dihydrofolate reductase. The protonated triazine ring deviates from planarity, whereas the cyclohexane ring adopts a chair conformation. A rather unusual hydrogen‐bonding scheme exists in the crystal. There is a centrosymmetric arrangement involving two amino groups and two triazine ring N atoms, with graph‐set R(8) and an N?N distance of 3.098 (3) Å, flanked by two additional R(8) systems, involving two amino groups, a triazine ring N atom and a Cl? anion, with N?Cl distances in the range 3.179 (2)–3.278 (2) Å. Furthermore, the Cl? anion, the protonated triazine ring N atom and an amino group form a hydrogen‐bonding system with graph‐set R(6). 相似文献
49.
50.