caa a22 4500 469072164 CHVBK 20180323132924.0 cr unu---uuuuu 170328e19920601xx s 000 0 eng 10.1007/BF00678418 doi (NATIONALLICENCE)springer-10.1007/BF00678418 Synthesis, vibrational, and conformational properties of novel polyazadioxime chain molecules [Elektronische Daten] [Ramdane Bariz, Claude Brémard, Stéphane Sueur, Gérard Vergoten] Novel large polyazadioxime molecules 4,5,8,9-tetraaza-3,6,7,10-tetramethyl -3,5,7,9-dodecatetraene-2, 11-dione-2, 11-dioxime (H2doxN4) and 4,5,8,9,12, 13-hexaaza-3,6,7,10,11,14-hexamethyl-3, 5,7,9,11,13-hexadecahexane-2,15-dione-2, 15-dioxime (H2doxN6) were synthesized. The molecular geometries of these molecules as well as smaller dioxime molecules, H2dox and H2doxN2 were optimized by using modified intermediate neglect of differential overlap (MNDO) calculations. The optimized conformations for all the molecules under study are close to the all-E, all-s trans conformation of C2h symmetry group. However, the energy barriers of internal rotation around the N-N single bonds were found to be low. Therefore some distortions of the polyazabackbone through internal rotation the N-N bonds have been evidenced. By infrared and Raman spectroscopies in the solid state as well as in solution. From the MNDO calculations and vibrational spectroscopy, the polyaza chain molecules under study appear as a poorly conjugated system and can be represented as a sequence of single and double bond alternation. Plenum Publishing Corporation, 1992 Bariz Ramdane LASIR-CNRS UPR 2631 Bât C5, Université de Lille Flandres, Artois 59655, Villeneuve d'Ascq Cedex, France aut Brémard Claude LASIR-CNRS UPR 2631 Bât C5, Université de Lille Flandres, Artois 59655, Villeneuve d'Ascq Cedex, France aut Sueur Stéphane Laboratoire de Cristallochimie et Physicochimie du solide, URA 0452 CNRS. E.N.S.C.L Bât C7, Université de Lille Flandres, Artois BP 59652, Villeneuve d'Ascq Cedex, France aut Vergoten Gérard Falculté de Pharmacie, Laboratoire de Génie Biologique et Médical U 279 INSERM, 59045, Lille Cedex, France aut Structural Chemistry Kluwer Academic Publishers 3/3(1992-06-01), 203-213 1040-0400 3:3<203 1992 3 11224 https://doi.org/10.1007/BF00678418 text/html Onlinezugriff via DOI 1 research-article jats NATIONALLICENCE 856 40 https://doi.org/10.1007/BF00678418 text/html Onlinezugriff via DOI NATIONALLICENCE 700 1- Bariz Ramdane LASIR-CNRS UPR 2631 Bât C5, Université de Lille Flandres, Artois 59655, Villeneuve d'Ascq Cedex, France aut NATIONALLICENCE 700 1- Brémard Claude LASIR-CNRS UPR 2631 Bât C5, Université de Lille Flandres, Artois 59655, Villeneuve d'Ascq Cedex, France aut NATIONALLICENCE 700 1- Sueur Stéphane Laboratoire de Cristallochimie et Physicochimie du solide, URA 0452 CNRS. E.N.S.C.L Bât C7, Université de Lille Flandres, Artois BP 59652, Villeneuve d'Ascq Cedex, France aut NATIONALLICENCE 700 1- Vergoten Gérard Falculté de Pharmacie, Laboratoire de Génie Biologique et Médical U 279 INSERM, 59045, Lille Cedex, France aut NATIONALLICENCE 773 0- Structural Chemistry Kluwer Academic Publishers 3/3(1992-06-01), 203-213 1040-0400 3:3<203 1992 3 11224 Metadata rights reserved Springer special CC-BY-NC licence nationallicence BK010053 XK010053 XK010000 NATIONALLICENCE NATIONALLICENCE NL-springer