Abstract
The Fourier transform infrared and Raman spectra of di-i-propoxyphosphoryl benzylisothiourea (DPB) (1) in the solid state and in solutions of CCl 4, CHCl 3, CHBr 3, CH 2Cl 2, C 2H 4Cl 2, C 2H 4Br 2 and THF were studied. In the IR spectra, the effects of different concentrations were also investigated. The behavior of the ν(NH), δ(NH), δ(HNH), ν(CN) and ν(PO) normal modes suggests the existence of a tautomerism between the phosphorylamine (I) and N-phosphorylimine (II) structures: The data show the presence of different δ(NH) and δ(HNH) bendings and ν(CN) normal modes in the solid state as a result of inter and intramolecular hydrogen bonding. The experimental approximate frequencies assignments were done for this compound, and were confirmed by a normal coordinate analysis carried out for several fragments of phosphorylamine and N-phosphorylimine structures.
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