Molekūlstrukturen von Phoshorverbindungen / Molecular Structure of Phosphorus Compounds. 1. Trimethylphosphate

1973 ◽  
Vol 28 (7) ◽  
pp. 1140-1144
Author(s):  
I. Trimethylphosphat ◽  
H. Oberhammer
Keyword(s):  
Molecular Structure ◽  
Electron Diffraction ◽  
Vapour Phase ◽  
Geometric Parameters ◽  
Phosphorus Compounds ◽  
Mean Square ◽  
Scattering Intensity ◽  
Rotational Isomers ◽  
Best Fit

The molecular structure of Trimethylphosphate O = P(OCH3)3 has been determined in the vapour phase by electron diffraction. The best fit of the experimental scattering intensity was obtained by assuming two rotational isomers with C3-symmetry occuring in a ratio of approximately 3:1. The geometric parameters and mean square amplitudes are given in the article.

Die Molekülstruktur des N-Chlorsdiwefeloxiddifluoridimids ClNSOF2 / The Molecular Structure of ClNSOF2

1974 ◽  
Vol 29 (6) ◽  
pp. 901-904 ◽  
Author(s):  
O. Oberhammer ◽  
O. Glemser ◽  
H. Klüver
Keyword(s):  
Molecular Structure ◽  
Electron Diffraction ◽  
Geometric Parameters ◽  
Mean Square ◽  
The Mean

The molecular structure of ClNSOF2 was determined by electron diffraction of gases. The following geometric parameters were obtained:Cl-N=1.715(5), S=N=1.484(7), S=O=1.394(3), S-F=1.548(3) Å, ∢ ClNS=114.7 (8), ∢ FSF=92.6(.8), ∢ NSF=111.8(.9) ∢ NSO=117.4 (3.1) and ∢ OSF=108.6 (.8)°. The results for the mean square amplitudes of vibration are given in the paper and an attempt is made to explain differences in corresponding parameters of some related molecules.

Molekülstrukturen von Phosphorverbindungen, IV / Molecular Structures of Phosphorus Compounds, IV

1975 ◽  
Vol 30 (7-8) ◽  
pp. 506-512 ◽  
Author(s):  
H. Oberhammer ◽  
J. Grobe
Keyword(s):  
Electron Diffraction ◽  
Geometric Parameters ◽  
Molecular Structures ◽  
Trigonal Bipyramid ◽  
Phosphorus Compounds ◽  
Equatorial Position ◽  
Mean Square ◽  
Potential Barriers ◽  
Distorted Trigonal Bipyramid ◽  
The Mean

The molecular structures of the two trifluoromethyl phosphoranes (CF3)2PCl3 and (CF3)3PCl2 have been determined by electron diffraction of gases. The structure of (CF3)2PCl3 was found to be a regular trigonal bipyramid with both CF3 groups in axial positions (D3h symmetry) and the fluorine atoms staggered to the equatorial chlorine atoms. The following geometric parameters (ra-values) were obtained: r(C-F) = 1.331(2) Å, r(P-C) = 1.950(II) Å, r(P-Cl) = 2.036(2) Å and ⦓ FCF = 108.3°(0.4). (CF3)3PCl2 possesses the structure of a distorted trigonal bipyramid with two CF3 groups in axial and one in equatorial position. Again the fluorine atoms of the axial CF3 groups are staggered to the equatorial atoms. The ra-values for the geometric parameters are: r(C-F)= 1.329(2) Å, r(P-C)eq= 1.938(31) Å, r(P-C)ax = 1.946(14) Å, r(P-Cl) = 2.053(6) Å, ⦓ FCF = 108.5°(0.3), ⦓ ClPCl = 133.0°(1.7) and ⦓ CaxPCeq = 95.5°(1.9). The average P-C bond length was found to be r(P-C)av = 1.943(5) A. The results for the mean square amplitudes are given in the article. It was shown that in both molecules the torsional amplitudes of the CF3 groups around the P-C bond directions are small, indicating high potential barriers to internal rotation.

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

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.

Electron diffraction study in the vapour phase of the molecular structure of dicyclopentadienylnickel

1969 ◽  
Vol 18 (2) ◽  
pp. 337-344 ◽  
Author(s):  
I.A. Ronova ◽  
D.A. Bochvar ◽  
A.L. Chistjakov ◽  
Yu.T. Struchkov ◽  
N.V. Alekseev
Keyword(s):  
Molecular Structure ◽  
Electron Diffraction ◽  
Diffraction Study ◽  
Electron Diffraction Study ◽  
Vapour Phase

scholarly journals An Electron Diffraction Investigation of the Molecular Structure in anti-cis,cis-2,2'-Dibromobiscyclopropyl in the Vapour Phase.

1973 ◽  
Vol 27 ◽  
pp. 1950-1956 ◽  
Author(s):  
G. Schrumpf ◽  
R. Stölevik ◽  
Kjell-Ivar Dahlquist ◽  
Jacques M. Waisvisz ◽  
Marcel G. van der Hoeven ◽  
...  
Keyword(s):  
Molecular Structure ◽  
Electron Diffraction ◽  
Vapour Phase ◽  
Electron Diffraction Investigation

scholarly journals An Electron Diffraction Investigation of the Molecular Structure of trans-2-Methyl-1,3,5-hexatriene in the Vapour Phase.

1974 ◽  
Vol 28a ◽  
pp. 1150-1154 ◽  
Author(s):  
M. Trætteberg ◽  
G. Paulen ◽  
I. Grenthe ◽  
L. Henriksen ◽  
Bernt Klewe ◽  
...  
Keyword(s):  
Molecular Structure ◽  
Electron Diffraction ◽  
Vapour Phase ◽  
Electron Diffraction Investigation

scholarly journals An Electron Diffraction Investigation of the Molecular Structure of Hexachloroethane in the Vapour Phase.

1964 ◽  
Vol 18 ◽  
pp. 603-611 ◽  
Author(s):  
A. Almenningen ◽  
B. Andersen ◽  
M. Trætteberg ◽  
Hans Halvarson ◽  
Lennart Nilsson
Keyword(s):  
Molecular Structure ◽  
Electron Diffraction ◽  
Vapour Phase ◽  
Electron Diffraction Investigation

Vibrational spectrum and molecular structure of methyl pyruvate

1971 ◽  
Vol 24 (6) ◽  
pp. 1183 ◽  
Author(s):  
JK Wilmshurst ◽  
JF Horwood
Keyword(s):  
Molecular Structure ◽  
Crystalline State ◽  
Energy Difference ◽  
Vapour Phase ◽  
The Other ◽  
Crystalline Solid ◽  
Rotational Isomers ◽  
Complete Assignment ◽  
Methyl Pyruvate ◽  
Cis Isomer

The infrared spectrum of methyl pyruvate in the liquid phase in the vapour phase, in solution, and as a glassy and crystalline solid has been obtained from 4000 to 200 cm-1, together with the Raman spectrum of the liquid. The data are consistent with the assumption of a planar pseudo-trans isomer in the crystalline state, and a mixture of this isomer with a less stable planar pseudo-cis isomer in the other phases investigated. The energy difference between the two isomers in the liquid state was found to be c. 650 cal mol-1. A complete assignment, with the exception of the torsional modes, has been made for both rotational isomers.

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