Characterization of Hexahydroxycyclotriphosphazene Salicylate ; EPR , NMR , XRD Spectra

On the basis of the results of instrumental analysis, it may be predicted that the adduct is good conductor, paramagnetic in nature having triclinic geometrical packing of the molecule.


INTRODUCTION
A few of the adducts of [NP(OH) 2 ] 3 with organic acids have been synthesized and reported. 1- 6U.V., E.P.R., 1 HNMR and XRD investigations of hexahydroxycyclotriphos-phazene salicylate are being reported herewith.

H e x a h y d r o x y c y c l o t r i p h o s p h a z e n e salicylate
has been formulated as , on the basis of its quantitative 8 estimation, mass and I.R. spectrum as reported (loc.cite).The three bands at 210, 225, 305 nm have appeared in its U.V. spectrum.The band at 210 nm = 5.9 ev is due to the ionic environment or charge transfer transition, while the remaining bands are corresponding to * transition 9    The hyperfine peaks in its E.P.R. spectrum 10 suggests the paramagnetic character of the adducts.The two prominent peaks (fig. 1) of high intensity selected for calculations.The values of g z > 2 indicate the presence of covalent bonding alongwith the ionic bonding as referred by the low values of g x = g y < 2 as suggested by its the U.V. spectrum.
The values of magnetic moment, m eff 1.6944, 1.6587 B.M. and magnetic susceptibilities, c A = 1.1966 and 1.1467 x 10 -3 e.s.u., also infer the paramagnetic character of the adduct, having one unpaired electron on its oxygen atom predicting that during the reaction H + of [NP(OH) 2 ] 3 has reacted in presence of conc.- 6.329 ppm are according to the H atoms of three C 6 H 5 groups linked differently to P 3 N 3 ring.Again a broad signal of low intensity at the chemical shift, 10.856 to 11.636 ppm is for the P-N ring.Thus from the 1 HNMR spectrum, it is clear that three salicylic molecules have linked to one P 3 N 3 ring through oxygen atoms differently as shown by its structure (fig.3).
due to the double bond in adduct.The low values of band gap energy, Eg = 0.1965, 0.723 ev and high value of number of conducting electrons, Nc = 2.1931 x 10 5 and 4.3979 x 10 5 indicate the good conductive nature of the adduct.
q avg = 0.05415 a 0 = 3.3128 Å, b 0 = 1.5615Å, c 0 = 9.6938 Å,  = 108.44o ,  = 153.44o ,  = 90.01o H 2 SO 4 and reacted with OH -of salicyclic acid with the elimination of H 2 O molecule and forming hexahydroxycyclotriphosphazene salicylate.The peaks have divided into three parts repeating successively, suggesting that three molecule of salicylic acid have reacted with one molecule of [NP(OH) 2 ] 3 as follows: 3 [(CO) 3 O 6 (C 6 H 4 ) 3 ] + 6H 2 O 1 HNMR spectrum (fig.2) of the adduct possess four sets of signals, out of which four signals, a set in the range of chemical shift,  6.677 - 8.103 ppm are due to two parallel P-N bands linked with other P-N band of the P 3 N 3 ring showing the two signals at the chemical shift,  8.636 and d 8.949 ppm.The three signals in the range of chemical shift, 2.184