Dichlorotrifluorophosphorane (PCl2F3): molecular structure by gas-phase electron diffraction and quadratic force field

1985 ◽  
Vol 24 (18) ◽  
pp. 2774-2777 ◽  
Author(s):  
Richard J. French ◽  
Kenneth Hedberg ◽  
Jeanne M. Shreeve ◽  
Krishna D. Gupta
Keyword(s):  
Molecular Structure ◽  
Electron Diffraction ◽  
Force Field ◽  
Gas Phase ◽  
Quadratic Force Field ◽  
Gas Phase Electron Diffraction

Die Molekülstruktur des Vanadium-(N-chlorimid)-trichlorids, Cl3V=NCl, und des Vanadiumoxidtrichlorids, Cl3V = O, in der Gasphase / The Gas Phase Molecular Structure of Vanadium(N-Chlorimide)Trichloride, Cl3V=NCl, and Vanadium Oxide Trichloride, Cl3V=O

1975 ◽  
Vol 30 (3) ◽  
pp. 296-303 ◽  
Author(s):  
H. Oberhammer ◽  
J. Strähle
Keyword(s):  
Molecular Structure ◽  
Crystal Structure ◽  
Electron Diffraction ◽  
Force Field ◽  
Vanadium Oxide ◽  
Gas Phase ◽  
Infrared Spectra ◽  
Bond Distance ◽  
Molecular Structures ◽  
Gas Phase Electron Diffraction

The molecular structures of Cl3V = NCl and Cl3V = O were determined by gas-phase electron diffraction. For both molecules the rα0-structure was converted to restructure. In the case of Cl3V=O the necessary corrections were taken from the literature while for Cl3V=NCl an approximate force field was evaluated from the infrared spectra of the solid compound for calculating these corrections. The following rα0 parameters were derived for Cl3V = NCl: V = N = 1,651 (6), N-Cl = 1,597 (8), V - Cl = 2,138 (2), ⦓ ClVCl = 113,4° (0,3) and ⦓ VNCl = 169,7° (4,2). The most interesting result of this investigation is the structure of the V = N -Cl group which is almost linear and has a very short N -CI bond distance. Concerning the VNCl group the gas-phase results agree very well with the crystal structure. For vanadyl chloride the following rα0-values were obtained: V = 0 = 1,571 (4), V - Cl = 2,137 (1) and ⦓ ClVCl = 111,0° (0,1°). The error limits given in thousandth parts of an Angstrom or degrees are the threefold standard deviations of the least squares analysis.

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