scholarly journals Molecular structure as determined by a new electron diffraction method II—The halogen-carbon bond distance in some simple benzene derivatives

1934 ◽  
Vol 146 (858) ◽  
pp. 690-700 ◽  
Keyword(s):  
Molecular Structure ◽  
Electron Diffraction ◽  
Benzene Ring ◽  
Phase 1 ◽  
Bond Distance ◽  
Diffraction Method ◽  
Vapour Phase ◽  
Constant Independent ◽  
Benzene Derivatives ◽  
Carbon Bond

The object of this investigation was to get replies to the following questions concerning the structure of certain simple benzene derivatives in the vapour phase:— (1) Is the benzene ring a flat, regular hexagon? (2) What is the carbon-carbon distance in the benzene ring, and is this a constant independent of the number of substituents ?

An electron diffraction investigation of the peri -bonds in perylene

1965 ◽  
Vol 283 (1395) ◽  
pp. 557-575 ◽  
Keyword(s):  
Molecular Structure ◽  
Electron Diffraction ◽  
Bond Length ◽  
Bond Distance ◽  
Diffraction Method ◽  
Vapour Phase ◽  
Electron Diffraction Investigation ◽  
Carbon Bond ◽  
Carbon Carbon Bond ◽  
Naphthalene Molecule

The molecular structure of perylene has been studied in the vapour phase by the sector electron diffraction method. The average carbon-carbon bond distance in perylene apart from the peri -bonds was found to be about 0·010 Ǻ longer than the average carbon-carbon bond distance in the naphthalene molecule. The peri -bond length was determined to be 1·493 ± 0·015 Ǻ.

Molecular structure study of 1,2,3-trimethyldiaziridine by means of gas electron diffraction method

2018 ◽  
Vol 30 (2) ◽  
pp. 457-464 ◽  
Author(s):  
Ilya I. Marochkin ◽  
Vladimir V. Kuznetsov ◽  
Anatolii N. Rykov ◽  
Nina N. Makhova ◽  
Igor F. Shishkov
Keyword(s):  
Molecular Structure ◽  
Electron Diffraction ◽  
Diffraction Method ◽  
Structure Study ◽  
Gas Electron Diffraction

scholarly journals Molecular Structure of Pyrazinamide: a Critical Assessment of Modern Gas Electron Diffraction Data from Three Laboratories

2020 ◽  
Author(s):  
Arseniy A. Otlyotov ◽  
Georgiy V. Girichev ◽  
Anatolii N. Rykov ◽  
Timo Glodde ◽  
Yury Vishnevskiy
Keyword(s):  
Molecular Structure ◽  
Electron Diffraction ◽  
Structure Refinement ◽  
Diffraction Method ◽  
Detailed Examination ◽  
Gas Electron Diffraction ◽  
Electron Diffraction Data ◽  
Data Sets ◽  
Background Elimination ◽  
Diffraction Patterns

<div><div>Accuracy and precision of molecular parameters determined by modern gas electron diffraction method</div><div>have been investigated. Diffraction patterns of gaseous pyrazinamide have been measured independently in three laboratories, in Bielefeld (Germany), Ivanovo (Russia) and Moscow (Russia). All data sets have been analysed in equal manner using highly controlled background elimination procedure and flexible restraints in molecular structure refinement. In detailed examination and comparison of the obtained results we have determined the average experimental precision of 0.004 Å for bond lengths and 0.2 degrees for angles. The corresponding average deviations of the refined parameters from the ae-CCSD(T)/ccpwCVTZ theoretical values were 0.003 Å and 0.2 degrees. The average precision for refined amplitudes of interatomic vibrations was determined to be 0.005 Å. It is recommended to take into account these values in calculations of total errors for refined parameters of other molecules with comparable complexity.</div></div><div><br></div>

scholarly journals An Electron Diffraction Investigation of the Molecular Structure of Bicyclo[2.2.0]hexane in the Vapour Phase.

1972 ◽  
Vol 26 ◽  
pp. 3468-3474 ◽  
Author(s):  
Birgit Andersen ◽  
R. Srinivasan ◽  
Per J. Garegg ◽  
Ulla Rudén ◽  
Åke Pilotti
Keyword(s):  
Molecular Structure ◽  
Electron Diffraction ◽  
Vapour Phase ◽  
Electron Diffraction Investigation

The Molecular Structure of Pentafluorobenzene Sulphonyl Chloride

1983 ◽  
Vol 38 (7) ◽  
pp. 765-768
Author(s):  
Erzsébet Vajda ◽  
István Hargittai
Keyword(s):  
Molecular Structure ◽  
Electron Diffraction ◽  
Diffraction Study ◽  
Benzene Ring ◽  
Molecular Model ◽  
Electron Diffraction Study ◽  
Molecular Geometry ◽  
Bond Angles ◽  
Bond Lengths

Abstract The molecular geometry of pentafluorobenzene sulphonyl chloride is characterized by the following bond lengths (rg) and bond angles from an electron diffraction study: C-F 132.6 ± 0.3 pm, C-C 13971 ± 0.7 pm, S=O 141.5 ± 0.3 pm, S-Cl 202.7 ± 0.5 pm, C-S 179.8 ± 0.6 pm. C-S-Cl 104.8 ± 0.8°, C-S=O 108.2 ± 0.6°, O = S=O 123.6 ±1.0°, Cl-S=O 105.3 ±0.2°. The molecular model is asymmetric; the benzene ring is rotated by 61.8 ± 2.2° relative to the plane containing the S-Cl bond and bisecting the O = S = O angle. The benzene ring is not distorted considerably.

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