Spectroscopic studies of the 1:1 complexes of 4-nitrophenyl[bis(ethylsulfonyl)]methane and phenyl[bis(ethylsulfonyl)]methane with 7-methyl-1,5,7-triazabicyclo[4.4.0]dec-5-ene and 1,5,7-triazabicyclo[4.4.0]dec-5-ene
Abstract
The 1:1 complexes of 4-nitrophenyl[bis(diethylsulfonyl)]methane (CH1) and phenyl[bis(diethylsulfonyl)]methane (CH2) with 1,5,7-triazabicyclo[4.4.0]dec-5-ene (TBD) and 7-methyl-1,5,7-triazabicyclo[4.4.0]dec-5-ene (MTBD) have been synthesized and their structures have been studied using the FT-IR, 1H NMR and PM5 semiempirical methods. In all complexes a proton has been transferred from C-H acid to TBD or MTBD molecules to yield ionic pairs. On the basis of the FT-IR and 1H NMR studies of the MTBD complexes, in acetonitrile, the ions have been shown to be fully dissociated. In the case of TBD formation of non-cyclic hydrogen bonded structures have been proposed for the complex being partially dissociated. The calculated structure of the CH2-TBD complex has shown very high similarity to the structure in the solid state.
- Publication:
-
Journal of Molecular Structure
- Pub Date:
- September 2007
- DOI:
- 10.1016/j.molstruc.2007.01.005
- Bibcode:
- 2007JMoSt.841..133H