scholarly journals Studies of Molecular Structures by Electron Diffraction. I. The Molecular Structure of Monofluoro- and Monobromobenzenes

1953 ◽  
Vol 26 (8) ◽  
pp. 414-416 ◽  
Author(s):  
Tooru Yuzawa ◽  
Mashio Yamaha
Keyword(s):  
Molecular Structure ◽  
Electron Diffraction ◽  
Molecular Structures

scholarly journals Vibration Effect on the Extracted Molecular Structure from Laser-Induced Electron Diffraction

10.29007/xj9p ◽  
2020 ◽  
Author(s):  
Thi Hien Nguyen ◽  
Ngoc Loan Phan Thi
Keyword(s):  
Molecular Structure ◽  
Electron Diffraction ◽  
Cross Section ◽  
Scattering Theory ◽  
Structural Information ◽  
Molecular Structures ◽  
Molecular Vibration ◽  
Initial Structure ◽  
Vibration Effect ◽  
Advanced Model

It is well-known that the laser-induced electron diffraction (LIED) contains molecular structural information that can be extracted with a spatial resolution of angström and time resolution of a few femtoseconds [1, 2]. The retrieval is based on the quantitative rescattering method (QRS) allowing the LIED signal to be split into two components [3], one of which is a laser-free differential cross-section (DCS) containing molecular structure. The method based on fitting the experimental DCS extracted from the LIED spectra to the theoretical DCS calculated with assumed initial structure parameters then allows one to reveal the real molecular structures. The theoretical DCS of molecules is treated within the independent atoms model (IAM) [1, 4] or the more advanced model based on the multiple scattering theory (MS) [2, 5].In this report, we talk about how to consider the molecular vibration effect to the MS model and examine this effect of molecular vibrations on the DCS by comparing the oscillation component with the component of the MS second-order describing the interference of the scattering waves. We perform an application of the developed theory for some diatomic molecules.

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.

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.

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