Zeitschrift fur Anorganische und Allgemeine Chemie, ( ISI ), Volume (631), No (5), Year (2005-4) , Pages (961-967)

Title : ( 2J(P,C) and 3J(P,C) Coupling Constants in Some New Phosphoramidates )

Authors: Mehrdad Pourayoubi , Zahra Shariatinia , Khodayar Gholivand ,

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Some new phosphoramidates were synthesized and characterized by 1H, 13C, 31P NMR, IR spectroscopy and elemental analysis. The structures of CF3C(O)N(H)P(O)[N(CH3)- (CH2C6H5)]2 (1) and 4-NO2-C6H4N(H)P(O)[4-CH3-NC5H9]2 (6) were confirmed by X-ray single crystal determination. Compound 1 forms a centrosymmetric dimer and compound 6 forms a polymeric zigzag chain, both via -N-H...OP- intermolecular hydrogen bonds. Also, weak C-H...F and C-H...O hydrogen bonds were observed in compounds 1 and 6, respectively. 13C NMR spectra were used for study of 2J(P,C) and 3J(P,C) coupling constants that were showed in the molecules containing N(C2H5)2 and N(C2H5)(CH2C6H5) moieties, 2J(P,C)>3J(P,C). A contrast result was obtained for the compounds involving a five-membered ring aliphatic amine group, NC4H8. 2J(P,C) for N(C2H5)2 moiety and in NC4H8 are nearly the same, but 3J(P,C) values are larger than those in molecules with a pyrrolidinyl ring. This comparison was done for compounds with six and seven-membered ring amine groups. In compounds with formula XP(O)[N(CH2R)(CH2C6H5)]2, 2J(P,CH2)benzylic>2J(P,CH2)aliphatic, in an agreement with our previous study.


, Crystal structure; Phosphoramidate; Phosphorus, carbon coupling constant; Weak hydrogen bond
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author = {Pourayoubi, Mehrdad and Zahra Shariatinia and Khodayar Gholivand},
title = {2J(P,C) and 3J(P,C) Coupling Constants in Some New Phosphoramidates},
journal = {Zeitschrift fur Anorganische und Allgemeine Chemie},
year = {2005},
volume = {631},
number = {5},
month = {April},
issn = {0044-2313},
pages = {961--967},
numpages = {6},
keywords = {Crystal structure; Phosphoramidate; Phosphorus-carbon coupling constant; Weak hydrogen bond},


%0 Journal Article
%T 2J(P,C) and 3J(P,C) Coupling Constants in Some New Phosphoramidates
%A Pourayoubi, Mehrdad
%A Zahra Shariatinia
%A Khodayar Gholivand
%J Zeitschrift fur Anorganische und Allgemeine Chemie
%@ 0044-2313
%D 2005