Molecular Structure and Conformations of 1,2-Dimethoxycyclobutene-3,4-dione. An Electron-Diffraction Investigation Augmented by Quantum Mechanical and Normal Coordinate Calculations

2014 ◽  
Vol 119 (9) ◽  
pp. 1563-1567 ◽  
Author(s):  
Luke L. Costello ◽  
Lise Hedberg ◽  
Kenneth Hedberg
Keyword(s):  
Molecular Structure ◽  
Electron Diffraction ◽  
Quantum Mechanical ◽  
Normal Coordinate ◽  
Electron Diffraction Investigation

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

Electron Diffraction Investigation of the Molecular Structure of Trifluoromethanesulphonic acid (triflic acid)

1981 ◽  
Vol 36 (8) ◽  
pp. 917-918 ◽  
Author(s):  
György Schultz ◽  
Istvan Hargittai ◽  
Ragnhild Seip
Keyword(s):  
Molecular Structure ◽  
Electron Diffraction ◽  
Diffraction Study ◽  
Heavy Atom ◽  
Electron Diffraction Study ◽  
Molecular Geometry ◽  
Triflic Acid ◽  
Electron Diffraction Investigation ◽  
Bond Angles ◽  
Bond Lengths

Abstract The molecular geometry of triflic acid is characterized by the following bond lengths (rg) and bond angles from an electron diffraction study: S-C 183.3±0.5, F-C 133.2 ±0.2, S=O 141.8±0.2, S-O 155.8±0.3 pm, S-C-F 110.3 ±0.3, F-C-F 108.6 ±0.3, C-S=O 105.4±1.1, C-S-O 102.3 ±2.3, O-S= O 109.9±0.7, and O=S=O 122.0 ±1.3°. The heavy-atom-skeleton is staggered with respect to the rotation about the S-C bond with an estimated barrier of rotation of 15 kJ mol-1.

Notizen:Electron Diffraction Investigation of the Molecular Structure of Trifluoromethyl Sulphonyl Chloride

1978 ◽  
Vol 33 (10) ◽  
pp. 1236-1238 ◽  
Author(s):  
Jon Brunvoll ◽  
István Hargittai ◽  
Mária Kolonits
Keyword(s):  
Molecular Structure ◽  
Electron Diffraction ◽  
Geometric Parameters ◽  
Electron Diffraction Investigation

Abstract An electron diffraction investigation yielded the following geometric parameters for trifluoromethyl sulphonyl chloride rg(C-F ) 1.326(4), rg(S=0 ) 1.416(7), rg(S-Cl) 2.016(5), rg(S-C) 1.857(6) Å, ∢ O= S - C 108.3(7)°, ∢ C-S-Cl 98.7(4)°, ∢ O = S = O 122.4(10),° ∢ O = S - Cl 108.3(3)°, ∢ F -C-F 109.9(3)°. The S - C bond is in CF3SO2Cl by almost 0.1 Å longer than in CH3SO2Cl.

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