Journal
MOLECULES
Volume 16, Issue 1, Pages 319-335Publisher
MDPI
DOI: 10.3390/molecules16010319
Keywords
polymethylene-alpha,omega-bis(N,N-dimethyl-N-dodecyloammonium bromides); FTIR and NMR spectra; DFT calculations; antifungal activity
Funding
- Adam Mickiewicz University, Faculty of Chemistry
- KBN [N N401 027736]
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Hexamethylene-1,6-bis-(N,N-dimethyl-N-dodecylammonium bromide) (1), pentamethylene-1,5-bis(N,N-dimethyl-N-dodecylammonium bromide) (2), tetramethylene-1,4-bis(N, N-dimethyl-N-dodecylammonium bromide) (3), trimethylene-1,3-bis(N,N-dimethyl-N-dodecylammonium bromide) (4) and ethylene-1,2-bis(N,N-dimethyl-N-dodecylammonium bromide) (5) have been obtained and characterized by FTIR and NMR spectroscopy. DFT calculations have also been carried out. The optimized bond lengths, bond angles and torsion angles calculated by Hartree-Fock/3-21G(d,p) approach have been presented. MIC values for A. niger, P. chrysogenum, C. albicans have been determined and the relationship between MIC and spacer length has been discussed.
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