caa a22 4500 46799370X CHVBK 20180323112552.0 cr unu---uuuuu 170328e19901101xx s 000 0 eng 10.1007/BF00476981 doi (NATIONALLICENCE)springer-10.1007/BF00476981 Investigation of the structure of 1,2-dihydro-3-(2-hydroxyphenyl)-4-nitropyrazol-5(3H)-one by spectroscopic and quantum-chemical methods [Elektronische Daten] [V. Davydov, B. Zaitsev, M. Sarabia, A. Aliev, G. Sheban, V. Savel'ev, V. Troitskaya] The structure of the previously synthesized 1,2-dihydro-3-(2-hydroxyphenyl)-4-nitropyrazol-5(3H)-one (I) was studied by 1H and 13C NMR, IR, and electronic spectra. It was established that the NMR spectra of compound (I) do not contain signals for the H atom at position 4 and the C atoms of the carbonyl groups; in the crystalline state and in solutions the IR spectra do not contain vc=o bands, while the electronic spectra do not contain absorption in the region of 250 nm. On the basis of the foregoing it is concluded that compound (I) exists in the OH form. The distribution of π-electron density in the molecule of (I) and the nature of the bands in its electronic absorption spectrum were studied by quantum-chemical methods in the PPP approximation. Plenum Publishing Corporation, 1991 Davydov V. P. Lumumba University of the Friendship of Peoples, Moscow aut Zaitsev B. P. Lumumba University of the Friendship of Peoples, Moscow aut Sarabia M. P. Lumumba University of the Friendship of Peoples, Moscow aut Aliev A. P. Lumumba University of the Friendship of Peoples, Moscow aut Sheban G. P. Lumumba University of the Friendship of Peoples, Moscow aut Savel'ev V. P. Lumumba University of the Friendship of Peoples, Moscow aut Troitskaya V. P. Lumumba University of the Friendship of Peoples, Moscow aut Chemistry of Heterocyclic Compounds Kluwer Academic Publishers-Plenum Publishers 26/11(1990-11-01), 1258-1264 0009-3122 26:11<1258 1990 26 10593 https://doi.org/10.1007/BF00476981 text/html Onlinezugriff via DOI 1 research-article jats NATIONALLICENCE 856 40 https://doi.org/10.1007/BF00476981 text/html Onlinezugriff via DOI NATIONALLICENCE 700 1- Davydov V. P. Lumumba University of the Friendship of Peoples, Moscow aut NATIONALLICENCE 700 1- Zaitsev B. P. Lumumba University of the Friendship of Peoples, Moscow aut NATIONALLICENCE 700 1- Sarabia M. P. Lumumba University of the Friendship of Peoples, Moscow aut NATIONALLICENCE 700 1- Aliev A. P. Lumumba University of the Friendship of Peoples, Moscow aut NATIONALLICENCE 700 1- Sheban G. P. Lumumba University of the Friendship of Peoples, Moscow aut NATIONALLICENCE 700 1- Savel'ev V. P. Lumumba University of the Friendship of Peoples, Moscow aut NATIONALLICENCE 700 1- Troitskaya V. P. Lumumba University of the Friendship of Peoples, Moscow aut NATIONALLICENCE 773 0- Chemistry of Heterocyclic Compounds Kluwer Academic Publishers-Plenum Publishers 26/11(1990-11-01), 1258-1264 0009-3122 26:11<1258 1990 26 10593 Metadata rights reserved Springer special CC-BY-NC licence nationallicence BK010053 XK010053 XK010000 NATIONALLICENCE NATIONALLICENCE NL-springer