An improved data reduction procedure for processing electron diffraction images and its application to structural study of carbon tetrachloride

Захаров, А. В.; Zhabanov, Yuriy A.

doi:10.1016/j.molstruc.2010.01.013

Cited by 11 publications

(3 citation statements)

References 35 publications

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“…27 A data-reduction procedure described in detail in ref. 28 was employed. The least-squares structure refinement was performed using a modified version of the KCED 35 program.…”

Section: Gas Electron Diffractionmentioning

confidence: 99%

The gas-phase structure of octaphenyloctasilsesquioxane Si8O12Ph8 and the crystal structures of Si8O12(p-tolyl)8 and Si8O12(p-ClCH2C6H4)8

et al. 2010

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The equilibrium molecular structure of octaphenyloctasilsesquioxane Si(8)O(12)Ph(8) in the gas phase has been determined by electron diffraction. It was found to have D(4) point-group symmetry, with Si-O bond lengths of 1.634(15)-1.645(19) A, and a narrow range [147.5(45)-149.8(24) degrees] of Si-O-Si angles. The structures of Si(8)O(12)(p-tolyl)(8) and Si(8)O(12)(p-ClCH(2)C(6)H(4))(8) have been determined by X-ray diffraction and are found to have Si(8)O(12) cages significantly distorted from the symmetry found for Si(8)O(12)Ph(8) in the gas phase. Thus, Si-O-Si angles range between 144.2(2)-151.64(16) degrees for Si(8)O(12)(p-tolyl)(8), and between 138.8(2)-164.2(2) degrees for Si(8)O(12)(p-ClCH(2)C(6)H(4))(8). These three structures show how much a Si(8)O(12) cage may be distorted away from an ideal structure, free from intermolecular forces, by packing forces in a crystalline lattice.

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“…27 A data-reduction procedure described in detail in ref. 28 was employed. The least-squares structure refinement was performed using a modified version of the KCED 35 program.…”

Section: Gas Electron Diffractionmentioning

confidence: 99%

The gas-phase structure of octaphenyloctasilsesquioxane Si8O12Ph8 and the crystal structures of Si8O12(p-tolyl)8 and Si8O12(p-ClCH2C6H4)8

et al. 2010

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“…A data-reduction procedure described in detail in Ref. [31,32] was employed. Least-squares molecular structure refinement was performed using a modified version of the KCED 35 program [33].…”

Section: Methodsmentioning

confidence: 99%

To the limit of gas-phase electron diffraction: Molecular structure of magnesium octa(m-trifluoromethylphenyl)porphyrazine

Zhabanov

Захаров

Giricheva

et al. 2015

Journal of Molecular Structure

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“…Для первичной обработки экспериментальных данных газовой электронографии с помощью микрофотометра разработаны программы MDProc и IDP [2]. С целью учета эллиптичности дифракционной картины и увеличения выборки экспериментальных данных реализована программа Z 2 IDP, использующая отсканированную дифракционную картину [2,3]. Одним из этапов разработки подходов к обработке результатов ЭГ экспериментов для молекул, состоящих из большого числа атомов, стала разработка программного обеспечения (ПО) VibModule [4] для решения колебательной задачи.…”

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Vaporization Processes and Accurate Molecular Structure of a Number of Organic and Inorganic Compounds Promising for Use in Technologies Involving the Gas Phase

2023

Izv. Vyssh. Uchebn. Zaved. Khim. Khim. Tekhnol.

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Structural, spectroscopic and thermodynamic studies carried out in the scientific laboratories of the Physics Department of the Ivanovo State University of Chemistry and Technology in the last 5-10 years are briefly reviewed. For citation: Girichev G.V., Giricheva N.I., Kudin L.S., Solomonik V.G., Belova N.V., Butman M.F., Vyalkin D.A., Dunaev A.M., Eroshin A.V., Zhabanov Yu.A., Krasnov A.V., Kuzmina L.E., Kuzmin I.A., Kurochkin I.Yu., Motalov V.B., Navarkin I.S., Pimenov O.A., Pogonin A.E., Sliznev V.V., Smirnov A.N., Tverdova N.V., Shlykov S.A. Vaporization processes and accurate molecular structure of a number of organic and inorganic compounds promising for use in technologies involving the gas phase. ChemChemTech [Izv. Vyssh. Uchebn. Zaved. Khim. Khim. Tekhnol.]. 2023. V. 66. N 7. P. 11-30. DOI: 10.6060/ivkkt.20236607. 6850j.

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An improved data reduction procedure for processing electron diffraction images and its application to structural study of carbon tetrachloride

Cited by 11 publications

References 35 publications

The gas-phase structure of octaphenyloctasilsesquioxane Si8O12Ph8 and the crystal structures of Si8O12(p-tolyl)8 and Si8O12(p-ClCH2C6H4)8

The gas-phase structure of octaphenyloctasilsesquioxane Si8O12Ph8 and the crystal structures of Si8O12(p-tolyl)8 and Si8O12(p-ClCH2C6H4)8

To the limit of gas-phase electron diffraction: Molecular structure of magnesium octa(m-trifluoromethylphenyl)porphyrazine

Vaporization Processes and Accurate Molecular Structure of a Number of Organic and Inorganic Compounds Promising for Use in Technologies Involving the Gas Phase

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