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1.
N. V. Podberezskaya A. V. Virovets Yu. L. Slovokhotov Yu. T. Struchkov V. A. Maksakov V. P. Kirin V. A. Ershova 《Journal of Structural Chemistry》1990,31(6):943-950
Institute of Inorganic Chemistry, Siberian Branch, Academy of Sciences of the USSR. Translated from Zhurnal Strukturnoi Khimii, Vol. 31, No. 6, pp. 108–116, November–December, 1990. 相似文献
2.
L.S. Khaikin A.V. Belyakov G.S. Koptev A.V. Golubinskii V.N. Kirin A.S. Kozmin L.V. Vilkov S.S. Yarovoi 《Journal of Molecular Structure》1978,44(1):55-71
A gas phase electron diffraction study of the cage hydrocarbon, basketene, is reported. A least squares treatment of molecular intensities has been carried out in terms of a geometrically consistent rα structure. The mean amplitude values and shrinkage corrections have been calculated using the force field parameters estimated from the data on simpler molecules.Structure refinement of the C2v molecular model yields the following parameter values (bond lengths, ra, in nm; angles, rα in degrees): <C2—C3, C4—C5?av 0.1609(14); C3—C4 0.1563(6); C9C10 0.1360(9); C1—C10 0.1511(13); C1—C2 0.1517(9); <C-H>av. 0.1092(8); <C3C4C7 88.5(1.0); dihedral angle C3C4C7/C3C5C7 153.8(1.0). Parenthesized are three times the standard deviation values, 3σ.In addition to the geometric parameters listed, the mean amplitudes for all bonded and C· C nonbonded distances have been determined by the least squares method. All the other amplitudes (C· H and H· H) have been fixed at the values estimated from the spectral data.Comparison of the results obtained with the literature data on similar polycyclic molecules points to the stronger internal strain in the basketene molecule. 相似文献
3.
4.
5.
Single-mode operation of a cw dye laser apparently due to the spatial hole burning effect has been obtained by using a thin metallic absorbing film. 相似文献
6.
7.
I. Yu. Prikhod’ko V. P. Kirin V. A. Maksakov A. V. Virovets A. V. Golovin 《Journal of Structural Chemistry》2008,49(4):719-723
The complex Ru4(μ4-S)(μ,η3-C3H5)2(CO)12 is prepared and examined by IR and NMR spectroscopy; its crystal structure is determined (an automatic Bruker-Nonius X8 Apex
four-circle diffractometer equipped with a 2-D CCD-detector, 100 K, graphite-monochromated molybdenum source, λ = 0.71073
?). The crystal belongs to the orthorhombic crystal system with unit cell parameters a = 19.3781(9) ?, b = 12.2898(7) ?, c = 10.1726(4) ?, V = 2422.6(2) ?3, space group Pnma, Z = 4, composition C18H10O12Ru4S, d
x = 2.343 g/cm3. The molecule of point symmetry C
1 is situated on the mirror plane of the space group Pnma, two carbonyl groups at Ru2 and Ru3 atoms overlapping with the allylic ligand with a weight of 50% so that carbon atoms coincide.
Thus, we have a racemic structure with two overlapping enantiomers of the molecule of Ru4(μ4-S)(μ,η3-C3H5)2(CO)12.
Original Russian Text Copyright ? 2008 by I. Yu. Prikhod’ko, V. P. Kirin, V. A. Maksakov, A. V. Virovets, and A. V. Golovin
__________
Translated from Zhurnal Strukturnoi Khimii, Vol. 49, No. 4, pp. 748–752, May–June, 2008. 相似文献
8.
V. A. Maksakov N. V. Pervukhina N. V. Podberezskaya M. Yu. Afonin V. A. Potemkin V. P. Kirin 《Journal of Structural Chemistry》2008,49(5):894-900
The crystal structure of the Os3(μ,η2-O=CC6H5)(η3-C3H5)(CO)9 cluster synthesized by the reaction of the (μ-H)Os3(μ-O=CC6H5)(CO)10 complex with allylamine in chloroform was determined by X-ray analysis. Prolonged storage of the reaction mixture led to
N-C bond cleavage in allylamine and η3-addition of the allyl fragment at one of the Os atoms (Os-C 2.246 ?, 2.248 ?, and 2.273 ?). The unit cell parameters of the
complex are a = 9.494(1) ?, b = 10.479(1) ?, c = 12.474(2) ?, α = 84.55(1)°, β = 70.08(1)°, γ = 70.72(1)°, V = 1255.8(4), ?3, space group P
, Z = 2; C19H10O10Os3; d
calc = 2.922 g/cm3, 3085 I
hkl
> 2σ
I
of 3611 collected reflections; R = 0.0252. The structure of Os3(μ,η2-O=CC6H5)(η3-C3H5)(CO)9 is molecular. The plane of the Os3 triangle and the OsCOOs plane are connected according to the “butterfly” principle with an angle of 103.4° between them.
The Os-Os distances in the cluster core vary from 2.836(1) ? to 2.844(1) ?; the Os-Ccarb distances are 1.88(1)–1.97(1) ?; the distances to the atoms of the bridging ligands are Os-C 2.11(1) ?, Os-O 2.14(1) ?; the
O-C bridging bond is 1.24(1) ?. of the Os3(μ,η2-O=CC6H5)(η3-C3H5)(CO)9 triosmium cluster were studied theoretically. The potential curve of the internal rotation of the allyl ligand relative to
the Os(1)-C(9) bond was determined. The rotation barrier of the allyl ligand in crystal relative to the Os(1)-C(9) bond is
8.38 kJ/mol, and the rotation of the ligand is not hindered. The effects of the intra-and intermolecular interactions on the
conformation state of the cluster complex are considered.
Original Russian Text Copyright ? 2008 by V. A. Maksakov, N. V. Pervukhina, N. V. Podberezskaya, M. Yu. Afonin, V. A. Potemkin,
and V. P. Kirin
__________
Translated from Zhurnal Strukturnoi Khimii, Vol. 49, No. 5, pp. 926–932, September–October, 2008. 相似文献
9.
Ferrocene peptide conjugates display an array of structural features including helical ferrocene based chirality and a number of different intramolecular hydrogen bonding patterns. In this tutorial review we present a rigorous nomenclature for these systems, followed by a section that summarises and categorises the structures known to date. The issues discussed herein are of general relevance for all metallocene-based chiral transition metal catalysts and peptide turn mimetics. 相似文献
10.
Sre?ko I. Kirin Xavier de Hatten Thomas Weyhermüller 《Journal of organometallic chemistry》2006,691(16):3451-3457
An experimental and computational study on the conformational preference of 1,n′-disubstituted ferrocenoyl amino acids and dipeptides is presented. Only l-amino acids were used for the synthesis of Fe[C5H4-CO-Met-Met-OMe]2 (4), but according to the X-ray structure a 4:1 mixture of l,d,M,d,l and l,d,M,l,l isomers is obtained (l describes amino acid chirality and M the helical chirality of the ferrocene core). This result is in agreement with IR and CD solution phase data and can be explained with a racemization by 1 M NaOH during the synthesis. In order to determine the relative stabilities of the different conformations, DFT calculations on model compounds Fe[C5H4-CO-Gly-NH2]2 (5) and Fe[C5H4-CO-Ala-OMe]2 (6) were performed using the B3LYP/LanL2DZ method with ECPs on the heavy atoms. Conformers 5A-5C with different hydrogen bond patterns have significantly different stabilities with a stabilization by about 30 kJ mol−1 per hydrogen bond. The “Herrick conformation” 5A with two hydrogen bonds is the most stable in the gas phase, in accordance with the solution and solid phase data. In contrast, only small energetic differences (less than 10 kJ mol−1) were calculated for conformers l,P,l-6A, l,P,d-6A and d,P,d-6A, which differ only in amino acid chirality. 相似文献