Polyadducts of fullerene C60 with tert-butyl groups

New soluble fullerene derivatives Bu^t _n C₆₀ were synthesized by the reaction of C₆₀M _n (THF) _x (M = Li, Na; n = 4, 6, 8, 10, 12) with tert-butyl bromide ButBr. The thus obtained compounds were characterized by spectroscopic methods (IR and NMR spectroscopy), mass spectrometry (MALDI), elemental analysis, and quantum chemical calculations. HPLC was used for chromatographic separation of the products of the reaction of C₆₀Na _n (THF) _x (n = 4, 6, 8, 12) with Bu^tBr. It was found that Bu^t ₄C₆₀ and Bu_t ⁶C₆₀ decompose on the column. A complex of physicochemical methods of analysis was used for establishing compositions of individual fractions of chromatographic separation of Bu^t ₄C₆₀. The structure of one of the components was determined as 1-tert-butyl-1,2-dihydrofullerene 1,2-Bu^tC₆₀H.     

Synthesis and properties of tetraalkylammonium chlorides peroxosolvates (CH3)4NCI·H2O2 and (C2H5)4NCl·H2O2

Tetraalkylammonium chlorides peroxosolvates (CH₃)₄NCl·H₂O₂ and (C₂H₅)₄NCl·H₂O₂ were synthesized. The composition of the solvates was proved by chemical analysis; their X-ray patterns, IR spectra, and thermograms were obtained. The solubility of the solvates in water and their stability in aqueous solutions were investigated.     

Three-component synthesis of spiro compounds with a carbamate functionality

1,3-Dipolar cycloaddition of methyl 4-[2-(2-oxo-1,2-dihydro-3H-indol-3-ylidene)acetyl]phenylcarbamate to non-stabilized azomethine ylides generated by decarboxylation of α-amino acid (sarcosine and proline) adducts with ketones (isatin and ninhydrin) occurred regioselectively with formation of the corresponding spiro compounds having a carbamate moiety.     

Kinetics of Al + H2O reaction: theoretical study

Quantum chemical calculations were carried out to study the reaction of Al atom in the ground electronic state with H(2)O molecule. Examination of the potential energy surface revealed that the Al + H(2)O → AlO + H(2) reaction must be treated as a complex process involving two steps: Al + H(2)O → AlOH + H and AlOH + H → AlO + H(2). Activation barriers for these elementary reaction channels were calculated at B3LYP/6-311+G(3df,2p), CBS-QB3, and G3 levels of theory, and appropriate rate constants were estimated by using a canonical variational theory. Theoretical analysis exhibited that the rate constant for the Al + H(2)O → products reaction measured by McClean et al. must be associated with the Al + H(2)O → AlOH + H reaction path only. The process of direct HAlOH formation was found to be negligible at a pressure smaller than 100 atm.     

Determination of the normal forms of the hamiltonian matrices

A method of finding the generating function of a canonical transformation reducing a quadratic Hamltonian and the corresponding Hamiltonian matrix to some normal form, is obtained. The problem of reducing a fourth order Hamiltonian matrix to its normal form is solved as an example.     

Enthalpy of formation of dimethyltriazanium chloride

Conclusions We determined the enthalpies of solution (5.53 ± 0.03 kcal/mole) and formation (21.7 ± 0.28 kcal/mole) of dimethyltriazanium chloride.Translated from Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya, No. 10, pp. 2392–2394, October, 1981.     

Rotational hysteresis loss and anisotropy in yttrium garnet ferrite single crystals

The rotational hysteresis loss in Y₃Fe₅O₁₂ single crystals is found to increase with the field up to 2.5–3 kOe at all temperatures between –183 and 250 ° C, this being followed by a fall, a further peak at 8–10 kOe, and a slow fall, with some residual effect even at 20 kOe. This loss is sensitive to heat treatment; annealing for 2 hr at 275 ° C greatly reduces the loss at –183 ° C and halves the main (second) peak at 20 ° C. These anomalies do not occur in ferrites with the spinel structure. The first anistropy constant is slightly reduced at all temperatures as a result of annealing.