The solid-state molecular structure and the conformational behaviour in solution of the 12-membered crown dithioether 8-methyl-1,4-dioxa-7,10-dithiacyclododecane-5,12-dione were studied by x-ray crystallography, 1 H and 13 C NMR spectroscopy and molecular mechanics. The conformational rigidity of so
Conformation and Stereodynamics of Aliphatic Triisopropylsilanes in Solution and in the Solid State
β Scribed by J. Edgar Anderson; Daniele Casarini; Lodovico Lunazzi; Andrea Mazzanti
- Publisher
- John Wiley and Sons
- Year
- 2000
- Tongue
- English
- Weight
- 268 KB
- Volume
- 2000
- Category
- Article
- ISSN
- 1434-193X
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β¦ Synopsis
A dynamic process has been detected in the solution 13 C-NMR spectra of tBuΟͺSi(iPr)3 (4) in the temperature range Οͺ145 Β°C to Οͺ163 Β°C, the corresponding free energy of activation being 5.5 kcal mol Οͺ1 . Molecular mechanics calculations have identified three types of conformations that are markedly more stable than all the others, but the one with the highest symmetry cannot be populated, as is evident from the appearance of the spectrum at low temperature.
π SIMILAR VOLUMES
The molecular and crystal structure of 3-nitropyrazole was determined by X-ray analysis. The triclinic unit cell contains 12 molecules which form four hydrogen-bonded (N-Hβ’β’β’N) trimers. Each trimer comprises of pseudo-ring in a flattened envelope distorted towards a chair conformation. The crystal p
The infrared and Raman spectra of histamine dihydrochloride and its N -deuterated derivative were recorded in the solid state. Raman spectra of samples dissolved in both normal and heavy water were also obtained. A general assignment of the fundamental vibrations of this cationic species of the hist
Diphenyl diselenide reacts with [CpRh(CO) 2 ] (1) to give the dimer [CpRh(SePh)(l-SePh)] 2 (2), the solid state structure of which has been determined by X-ray analysis; the dimeric structure is retained in solution. In contrast, [Cp\*Rh(CO) 2 ] (4) gives the ionic product [Cp\*Rh(l-SePh) 3 RhCp\*][