## Ab initio and NMR chemical shift (IGLO) calculations on the TZPllMP216-31G" level suggest a C, (lc), or the closely related C, (Id) structure, rather than the proposed Czv (la) geometry for hypho-B5Hc2. The two equivalent C, forms interconvert rapidly with a barrier o f ca 5 kcallmol. For hypho
Solvated Silylium Cations: Structure Determination by NMR Spectroscopy and the NMR/Ab Initio/IGLO Method
โ Scribed by Arshadi, Mehrdad; Johnels, Dan; Edlund, Ulf; Ottosson, Carl-Henrik; Cremer, Dieter
- Book ID
- 111870474
- Publisher
- American Chemical Society
- Year
- 1996
- Tongue
- English
- Weight
- 379 KB
- Volume
- 118
- Category
- Article
- ISSN
- 0002-7863
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๐ SIMILAR VOLUMES
The C 2 conformation 3 was established to be the preferred conformation of the isopropyl cation. The calculated 13 C NMR chemical shifts of C 2 conformation 3 also agree very well with the experimental data. However, this is, in contrast with the recent claims by Fa หrcas รiu and coworkers, who foun
## Abstract The structure of poly(diethylsiloxane) (PDES) has been characterized using solidโstate NMR of ^17^O. The sample studied had a weightโaverage molecular weight of 2.45 ร 10^5^. The sample was prepared by utilizing the cationic ringโopening polymerization of ^17^Oโenriched hexacyclotrisilo