carbamates;
xylylenediamines;
molecular recognition;
FTIR;
DFT;
SET MODEL CHEMISTRY;
TOTAL ENERGIES;
HYDROGEN-BOND;
COCRYSTALS;
PRINCIPLES;
PROTEINS;
D O I:
10.5935/0103-5053.20140289
中图分类号:
O6 [化学];
学科分类号:
0703 ;
摘要:
The synthesis, density functional theory (DFT) molecular structure and Fourier transform infrared spectroscopy (FTIR) molecular recognition study of diethyl phenylenebis(methylene) dicarbamates with 1,2- and 1,3-benzenediols is described. The formation of the complexes was confirmed by the shift of the O-H stretching bands in the IR spectra of the complexes compared with the IR spectra of the noncomplexed benzenediols.