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391.
Leszek Czuchajowski Antoni K. Wisor Maria J. Maślankiewicz 《Monatshefte für Chemie / Chemical Monthly》1981,112(10):1175-1185
The energies and oscillator strengths of the singlet-singlet transitions for thesyn- andanti-ring [2.2]quinolinophanes—regarded as quinoline dimers—were calculated usingPPP CI-1 method and compared with experimental spectra. The theoretical transitions were assigned to the observed broad bands and characterised in terms of locally excited and charge transfer contributions. The influence of the pseudosubstituent effect is also discussed.
Elektronenspektrum von syn- und anti-Ring [2.2]Quinolinohanen
Zusammenfassung Die Anregungsenergie und Stärke des Oszillators vom Typ singlet-singlet fürsyn- undanti-Ring [2.2]Quinolinophanen, betrachtet als Quinolinodimere, wurde mit dem Ultraviolett-Spektrum verglichen und nach derPPP-CI-1-Methode berechnet. Den beobachteten breiten Banden wurde die theoretische Übergangsenergie zugeordnet. Die Übergänge wurden nach ihrem Anteil an lokalem Anregungscharakter (LE) und dem Ausmaß der Ladungsübertragung (CT) klassifiziert. Der Anteil des Pseudosubstituenteffekts wird diskutiert.相似文献
392.
Leszek Konopski 《Journal of mass spectrometry : JMS》1990,25(4):204-208
The presence of the [M + H]+ ions and the absence of the monomer molecular ions M+· in the mass spectra of some tertiary α- and γ-nitrosocarbonyl compounds is reported. This effect is caused by the rearrangement of the mobile hydrogen in the α-carbonyl position in the fragmentation pattern of the dimer molecular ions 2M+·. 相似文献
393.
Visible absorption spectra of Co(BF4)2 and Ni(BF4)2 in acetonitrile (AN) indicate the existence of complex electrolytes solely of the type [M(AN)6]2+·2BF
4
–
. Close agreement of the molar conductance curves for Mn(BF4)2, Co(BF4)2, Ni(BF4)2, Cu(BF4)2, and Zn(BF4)2 indicates that the same is true for the other tetrafluoroborates as well. Small specific differences in properties of the [M(AN)6]2+ complex cations are reflected in the limiting molar conductances, while the first-step association constants to a good approximation are the same for the different metal cations. Penetration of the tetrafluoroborate anion in between the coordinated acetonitrile molecules is suggested as a possible explanation for the apparent independence of ionic association on the crystallographic radius of the cation. 相似文献
394.
Several compounds may exist in LnCl3–MCl mixtures. Those corresponding to the M 2 LnCl5 and MLn 2Cl7 stoichiometries are formed in a few systems only, with diverse stability strongly dependent on both the corresponding lanthanide and alkali metal. On the other hand, M 3 LnCl6 that occur in most systems have a far larger stability range and melt congruently. These latter compounds were investigated in the present work by differential scanning calorimetry and electrical conductivity measurements. The thermodynamic and transport properties were correlated to structural features and related to the mechanism of compound formation. 相似文献
395.
396.
Leszek Rupnicki Anita St?pień Zbigniew Pianowski 《Journal of organometallic chemistry》2005,690(16):3690-3696
The N-coordinated tin hydrides containing the chiral 2-(4-isopropyl-2-oxazolinyl)-5-phenyl ligand in the presence of catalytic amounts of tetrakis(triphenylphosphine)palladium gave the corresponding distannanes in good yields. The distannanes have been fully characterized by means of the 1H, 13C, 15N and 117Sn NMR measurements. The J(15N-117/119Sn), J(117Sn-119Sn) couplings and single-crystal X-ray analysis of distannane 3 revealed a tendency towards penta-coordination at the tin center as a result of the Sn-N interaction. 相似文献
397.
Khvorostov A Lapinski L Rostkowska H Nowak MJ 《The journal of physical chemistry. A》2005,109(34):7700-7707
Unimolecular photoisomerization reactions were studied for 2-thiouracil, 6-aza-2-thiothymine, 1-methyl-2-thiouracil, and 3-methyl-2-thiouracil isolated in low-temperature Ar matrixes. The IR spectra have revealed that before UV irradiation all the matrix-isolated compounds adopted exclusively the oxo-thione tautomeric form. Upon UV (lambda > 320 nm) irradiation of the matrixes, two oxo-thiol photoproducts were generated for monomeric 2-thiouracil as well as for monomeric 6-aza-2-thiothymine. Generation of these products corresponds to transfer of a proton from either the N(1)-H or N(3)-H group to the sulfur atom of the C(2)=S thiocarbonyl moiety. The first of the above reactions was photoreversible. As a consequence, after prolonged UV irradiation most of the material was transformed into the oxo-thiol-N(1)H form. The hydroxy-thiol tautomers of 2-thiouracil and 6-aza-2-thiothymine were also photogenerated as minor products. For 1-methyl-2-thiouracil and 3-methyl-2-thiouracil, thione --> thiol phototautomeric reactions yielded the oxo-thiol isomers of the compounds. Since these reactions were photoreversible, the final stages of the photoinduced processes corresponded, for both methylated 2-thiouracils, to photostationary states. All the products of the investigated photoreactions were identified by comparison of their IR spectra with the spectra calculated at the DFT(B3LYP)/6-311++G(2d,p) level. 相似文献
398.
399.
Elbieta Jankowska Mirosaw Gilski Mariusz Jasklski Zbigniew Grzonka Leszek ankiewicz 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(6):o353-o354
The crystal structure of the title compound, alternatively called 3‐[4‐(benzyloxy)phenyl]‐2‐(N‐tert‐butoxycarbonyl‐N‐methylamino)propionic acid, C22H27NO5, has been studied in order to examine the role of N‐methylation as a determinant of peptide conformation. The conformation of the tert‐butoxycarbonyl group is trans–trans. The side chain has a folded conformation and the two phenyl rings are effectively perpendicular to one another. The carboxylate hydroxyl group and the urethane carbonyl group form a strong intermolecular O—H?O hydrogen bond. 相似文献
400.