scholarly journals Molecular structures of free quinuclidine and its adducts with metal trihydrides, MH3 (M = B, Al or Ga), studied by gas-phase electron diffraction, X-ray diffraction and quantum chemical calculations

2007 ◽  
pp. 1687 ◽  
Author(s):  
Derek A. Wann ◽  
Frank Blockhuys ◽  
Christian Van Alsenoy ◽  
Heather E. Robertson ◽  
Hans-J?rg Himmel ◽  
...  
Keyword(s):  
Electron Diffraction ◽  
Gas Phase ◽  
Quantum Chemical Calculations ◽  
Quantum Chemical ◽  
Molecular Structures ◽  
X Ray Diffraction ◽  
X Ray ◽  
Gas Phase Electron Diffraction

Structures of Energetic Acetylene Derivatives HC≡CCH2ONO2, (NO2)3CCH2C≡CCH2C(NO2)3 and Trinitroethane, (NO2)3CCH3

2013 ◽  
Vol 68 (5-6) ◽  
pp. 719-731 ◽  
Author(s):  
Thomas M. Klapötke ◽  
Burkhard Krumm ◽  
Richard Moll ◽  
Alexander Penger ◽  
Stefan M. Sproll ◽  
...  
Keyword(s):  
Electron Diffraction ◽  
Gas Phase ◽  
Quantum Chemical ◽  
Room Temperature ◽  
Molecular Structures ◽  
X Ray Diffraction ◽  
Polar Solvents ◽  
X Ray ◽  
Nmr Study ◽  
Acetylene Derivatives

The molecular structures and relative ratios of the two conformers (anti and gauche) of HCCCH2ONO2 detected in the gas phase at room temperature have been determined by electron diffraction. The results are discussed on the basis of quantum chemical calculations. The molecular structures of (NO2)3CCH2C≡CCH2C(NO2)3 and (NO2)3CCH3 have been determined by X-ray diffraction. A109Ag NMR study was performed for silver trinitromethanide Ag[C(NO2)3] in various polar solvents.

Molecular structure of clonidine: gas-phase electron diffraction, single-crystal X-ray diffraction and quantum chemical studies

2017 ◽  
Vol 19 (6) ◽  
pp. 4618-4626 ◽  
Author(s):  
Inna N. Kolesnikova ◽  
Anatolii N. Rykov ◽  
Igor F. Shishkov ◽  
Victor A. Tafeenko ◽  
Leonid A. Aslanov
Keyword(s):  
Molecular Structure ◽  
Electron Diffraction ◽  
Gas Phase ◽  
Quantum Chemical ◽  
X Ray Diffraction ◽  
X Ray ◽  
Chemical Studies ◽  
Quantum Chemical Studies ◽  
Gas Phase Electron Diffraction

This study presents the first determination of the molecular structure of clonidine using gas electron diffraction, X-ray diffraction and quantum chemical calculations.

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