Studies of the complexes of the 4-cyanophenyl[bis(ethylsulfonyl)]methane and 4-cyanophenyl[bis(benzylsulfonyl)]methane C-acids and TBD and MTBD N-bases
✍ Scribed by Iwona Binkowska; Adam Huczyński; Bogumił Brzezinski; Arnold Jarczewski
- Publisher
- Elsevier Science
- Year
- 2008
- Tongue
- English
- Weight
- 736 KB
- Volume
- 892
- Category
- Article
- ISSN
- 0022-2860
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📜 SIMILAR VOLUMES
Intermolecular interactions in a synthesized C-acid, 4-nitrophenyl[bis(ethylsulfonyl)]methane have been analysed and its structure determined by X-ray diffraction. The molecular packing in the crystal is governed by CH. . .O. The dimensions of the hydrogen bonds and the shortest non-bonded distances
The structure and energetics of the complexes of 4-nitrophenyl[bis(methylsulfonyl)]methane (I) with 1,5,7-triazabicyclo[4.4.0]dec-5ene (TBD) in vacuo and in acetonitrile solvent are predicted at the MP2/cc-pVDZ level of theory. In the gas phase, the energies of possible ion-pair complexes are calcul