K α L 1 satellite multiplet structure of photon-excited chlorine atoms

Summary An attempt is made to study theK _α L ¹ satellite multiplet structure of chlorine atoms in different compounds by photon excitation. A comparison of the averageK _α L ¹ group energy shift from the diagram line with those based on Dirac-Fock evaluations with different number ofM-shell electrons shows a reasonable agreement. The intensity ratios are found to be higher than those studied in Mg compounds in general.     

Selective synthesis of di(propen-1-yl)sulfone and di(propen-1-yl)sulfoxide

Convenient selective methods of synthesis of the title compounds, based on oxidation of di(propen-1-yl)sulfide with 30% H₂O₂, have been developed.Institute of Organic Chemistry, Siberian Branch, Russian Academy of Sciences, 664033 Irkutsk. Translated from Izvestiya Akademii Nauk, Seriya Khimicheskaya, No. 3, pp. 675–679, March, 1992.     

Theoretical Study on the Structures and Electronic Spectra of the Derivatives of C_(60)-P-2,4,6-Triphenyl Borazinc

1 INTRODUCTION The electron-transfer reaction of C60 derivatives, especially light-induced electron-transfer reaction, has been an active research field for a long time. Many researches are focused on the long-live charge- separated state caused by electron-transfer[1]. And several electron-transfers between electron donor and C60 or intramolecular electron-transfer have been confirmed. As an example, TTF-C60 is proved to be a short-live charge-separated compound[2].Due to the excelle…     

Reaction of sulphate radical anion (SO<Superscript>.</Superscript><Subscript>4</Subscript><Superscript>-</Superscript>) with hydroxy-and methyl-substituted pyrimidines: a pulse radiolysis study

Reactions of sulphate radical anion (SO·₄ ^-) with 4,6-dihydroxy-2-methyl pyrimidine (DHMP), 2,4-dimethyl-6-hydroxy pyrimidine (DMHP), 6-methyl uracil (MU) and 5,6-dimethyl uracil (DMU) have been studied by pulse radiolysis at pH 3 and at pH 10. The transient intermediate spectra were compared with those from the reaction of hydroxyl radical (·OH). It is proposed that SO·₄ ^- produces radical cations of these pyrimidines in the initial stage. These radical cations are short-lived except in the case of DMHP where a relatively longer lived radical cation is proposed to be formed. When there is a hydrogen atom attached to the N(1) or N(3) position, a deprotonation from these sites is highly favored. When there is no hydrogen attached to these sites, deprotonation from a substituted methyl group is favored. At acidic pH, deprotonation from nitrogen is observed for DHMP, MU and DMU. At basic pH, the radical cation reacts with OH^- leading to the formation of OH adducts.     

Electronic spectra of compounds containing the conjugated tetratomic system X(V)Y=Z

The correlation of the spectra of conjugated tetratomic and triatomic systems was examined by means of corrected Dewar rules.N. D. Zelinskii Institute of Organic Chemistry, Russian Academy of Sciences, 117913 Moscow. Translated fromIzvestiya Akademii Nauk, Seriya Khimicheskaya, No. 6, pp. 1353–1356, June, 1992.     

Trapping Copper Phthalocyanine in a Silica Sono-Xerogel

A copper phthalocyanine (CuPc) has been encapsulated in silica. The trapping effects were studied comparing the UV-Vis absorption spectra of some CuPc solutions and composites prepared under different conditions. The trapped organic molecules’ stability was monitored during the gelation and drying processes. Leachability test have been carried out with the aim of checking the trapping efficiency. Hydrolysis water of pH=2 and a molar ratioR _w =6 mol acid H₂O/mol TMOS leads to a higher CuPc stacking angle homogeneity. The increase of Pc induces a narrower mesopore distribution and helps the stabilization of the composite.     

Electronic Structure, Aromaticity, and Physicochemical Characteristics of Carbene, Radical, and Ionic Forms of Compounds of the Imidazole Series, and their Oxo and Thio Analogs

The effects of benzannellation, phenyl substitution at the nitrogen atom, protonation at the carbene carbon, ionization, and the state of the carbene center (² or ²) on the electronic structure, diamagnetic susceptibility, induced -electron ring currents, the ¹H, ¹³C, and ¹⁴N chemical shifts, and the energies of the lowest electronic transitions of imidazol-2-ylidenes and their oxo and thio analogs were examined in the bound version of -electron perturbation theory. The calculated and experimental data are compared.     

Synthesis and properties of p-benzoquinone-fused hexadehydro[18]annulenes

A series of hexadehydro[18]annulenes fused with different numbers of p-benzoquinone, 4-6, were synthesized by stepwise transformation of the p-dimethoxybenzene moiety of the precursor dehydroannulene 3 fused with three 3,6-dimethoxy-4,5-dimethylbenzene units at 1,2-positions into p-benzoquinone using ceric ammonium nitrate. The UV-vis spectra of compounds 4 and 5, which have both electron-donating p-dimethoxybenzene unit(s) and electron-accepting p-benzoquinone unit(s) in the π-systems, showed the maximum absorption bands bathochromically shifted in comparison with 3 having only p-dimethoxybenzene units and 6 having only p-benzoquinone units. However, the solvatochromism expected for 4 and 5 was found to be quite weak possibly because the HOMO and LUMO (B3LYP/6-31G(d)) are not localized but rather delocalized over the whole π-systems.     

Lattice Dynamics in LaTa2-2xNb2xVO9-δ (x=0–0.1) Solid Solutions

The oxygen nonstoichiometry (x) of LaTa_2-2xNb_2xVO₉- (x = 0–0.1) solid solutions was studied using Xray phase analysis, vibrational spectroscopy, and radiospectroscopy. A correlation was found between (x) and the unit cell volume V(x) of the solid solutions. It was shown that the infrared spectra of LaTa₂VO₉- change in passing from = 0 to 0. The structural position of the oxygen vacancy in LaTa_2-2xNb_2xVO₉- is discussed.     

Synthesis and spectroscopic, diffractometric, and magnetic analysis of lanthanide compounds with thiocyanate and hexamethylenetetramine

Summary New complex salts of lanthanide thiocyanates with hexamethylenetetramine of the general formulaLn(NCS)₃·2[N₄(CH₂)₆·nH₂O, whereLn=La,Pr,Nd,Sm,Gd,Dy,Er andn=0–10, have been analyzed. IR spectra have been obtained in the range of 200–4000 cm^–1, frequencies of vibrations of low and high hydration state compounds have been analyzed, and differences between the structures of the coordination speheres of these salts are demonstrated. Diffractometric examinations and measurements of the magnetic susceptibility of several salts have been performed.

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Synthese und spektroskopische, diffraktometrische und magnetische Untersuchungen von Verbindungen der Lanthaniden mit Rhodanid und Hexamethylentetramin

Zusammenfassung Neue Komplexsalze der Lanthaniden mit Rhodanid und Hexamethylentetramin mit der allgemeinen FormelLn(NCS)₃·2[N₄(CH₂)₆]·nH₂O (Ln=La,Pr,Nd,Sm,Gd,Dy,Er;n=0–10) wurden untersucht. Die IR-Spektren der Verbindungen im Bereich von 200–4000 cm^–1 wurden aufgenommen. Die Schwingungsfrequenzen hoch- und niederhydrierter Verbindungen wurden analysiert und die Unterschiede in der Struktur der Koordinationssphäre bestimmt. An einigen Komplexen wurden diffraktometrische Untersuchungen und Messungen der magnetischen Suzaptibilität durchgeführt.