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- W2080857078 abstract "Abstract Using phosphorus pentachloride as a substrate, a new carbacyclamidophosphate, N , N ″-bis (2,6-dimethylmorpholino), N ″-dichloroacetyl phosphoric triamide (1) has been synthesized and characterized by 1 H, 31 P and 13 C NMR, IR spectroscopy and elemental analysis. Due to the presence of methyl disubstituted morpholine rings and the dichloroacetamide group, several conformers can be considered for this molecule. The 31 P{ 1 H} NMR spectra for the isomeric mixture of synthesized compound showed four signals with the ratio 67.1; 19.0; 12.2; 1.7, which indicates four independent conformers. The 1 H NMR spectra confirmed these results. The conformational space and the molecular geometry of the molecule in the gaseous phase have been studied using the B3LYP method of approximation, with 6-31G and 6-311++G ∗∗ basis sets." @default.
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- W2080857078 date "2007-09-01" @default.
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- W2080857078 title "Conformation of N,N′-bis (2,6-dimethylmorpholino), N″-dichloroacetyl phosphoric triamide: CHCl2C(O)NHP(O)[2,6(CH3)2(NC4H6O)]2. NMR and ab initio studies" @default.
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- W2080857078 doi "https://doi.org/10.1016/j.molstruc.2006.11.046" @default.
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