Infrarotdichroitische messungen an P3N3Cl5Br

Recent advances in phosphazene (phosphonitrilic) chemistry

“…The basic inorganic chemistry prior to 1943 was discussed in detail by Audrieth, Steinman, and Toy.28 Developments up to 1961 were reviewed by Paddock and Searle,29 Haber,30 and Gribova and Ban-yuan. 81 Comprehensive reviews by Shaw, Fitzsimmons, and Smith32 and Schmulbach33'appeared in 1962, while the review by Paddock in 196484 emphasized the structural work. Shaw, Keat, and Hewlett35 discussed experimental techniques in 1965.…”

A scaled quantum mechanical force field for hexachlorocyclotriphosphazene trimer (NPCl2)3

“…as a PCl 2 stretching mode [3]; as in-plane ring deformation [8]; or as a symmetric stretching of the PCl 2 moieties mixed with a out-of-plane deformation of the ring [10,11]. We have assigned this band to a mode involving ring torsion, either PCl 2 symmetric stretching or PCl 2 twisting.…”

“…These vibrations are assigned to the single band observed at 879 cm −1 (υ 8 ). Dichroic studies [3] provide the support to assign the 528.9 cm −1 band to E mode (υ 9 ). Nevertheless, the vibrational type of this band has been the subject of some discussions.…”

“…Since 1962, a number of research studies [1][2][3][4][5][6][7][8][9][10][11][12][13][14][15] have been performed to assign the vibrational spectra of hexachlorocyclophosphazene trimer (NPCl 2 ) 3 , as shown in Figure 1. Some of these previous studies have also made assignments of the (NPCl 2 ) 3 spectra based on normal coordinate analysis [9][10][11].…”

“…Boyd and Kesner [9] examined the structure and conformation of hexachlorocyclophosphazene trimer; the calculations were based on anharmonic molecular mechanics methods and were carried out on an isolated free molecule. Huvenne et al [10] performed normal coordinate analysis of (NPCl 2 ) 3 , using a local symmetry force field. Painter et al [11] used Boyd's force field in the refinement of force constants to obtain the approximate potential energy distribution (PED) of hexachlorocyclophosphazene trimer.…”