## Abstract The binding energies, geometries, and electronic structures of cationic ironbenzene and ironpyridine complexes have been studied by the two hybrid DFT‐HF approaches __m__PW1PW91 and B3LYP, as well as the AQCC and MR‐AQCC extension. The AQCC results confirm the experimental binding ene
✦ LIBER ✦
A theoretical NMR study of ortho and para-substituted benzenes compared with silabenzenes, pyridines and phosphabenzenes
✍ Scribed by Ibon Alkorta; José Elguero
- Publisher
- John Wiley and Sons
- Year
- 2010
- Tongue
- English
- Weight
- 137 KB
- Volume
- 48
- Category
- Article
- ISSN
- 0749-1581
- DOI
- 10.1002/mrc.2586
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Vacuum line kinetic studies of the reaction of p-toluenesulfonyl chloride and benzene or toluene, using aluminum chloride as the catalyst and dichloromethane as the solvent were determined at 25ЊC by means of gas chromatography. The reaction is first-order in arene, tosyl chloride, and in AlCl 3 as