caa a22 4500 467993076 CHVBK 20180323112550.0 cr unu---uuuuu 170328e19900801xx s 000 0 eng 10.1007/BF00480863 doi (NATIONALLICENCE)springer-10.1007/BF00480863 Spectral peculiarities of isomeric trans-styrylpyrazoles [Elektronische Daten] [V. Perevalov, L. Baryshnenkova, G. Sheban, A. Karim, S. Kramarenko, T. Koldaeva, B. Stepanov] The regularities in the electronic absorption spectra of trans-styrylpyrazoles were interpreted on the basis of quantum-chemical calculations by the Pariser-Parr-Pople configuration-interaction (PPP CI) method and data from the photoelectron spectra taking into account the peculiarities of the formation of the boundary molecular orbitals of pyrazole. The difference in the electronic effects of the isomeric pyrazolyl radicals determines the degree of polarization of the ethylene fragment and the C-C bonds of the pyrazole ring in the styrylpyrazole molecules; this is reflected in their IR spectra. Plenum Publishing Corporation, 1991 Perevalov V. D. I. Mendeleev Moscow Institute of Chemical Technology, 125820, Moscow aut Baryshnenkova L. D. I. Mendeleev Moscow Institute of Chemical Technology, 125820, Moscow aut Sheban G. D. I. Mendeleev Moscow Institute of Chemical Technology, 125820, Moscow aut Karim A. D. I. Mendeleev Moscow Institute of Chemical Technology, 125820, Moscow aut Kramarenko S. D. I. Mendeleev Moscow Institute of Chemical Technology, 125820, Moscow aut Koldaeva T. D. I. Mendeleev Moscow Institute of Chemical Technology, 125820, Moscow aut Stepanov B. D. I. Mendeleev Moscow Institute of Chemical Technology, 125820, Moscow aut Chemistry of Heterocyclic Compounds Kluwer Academic Publishers-Plenum Publishers 26/8(1990-08-01), 887-890 0009-3122 26:8<887 1990 26 10593 https://doi.org/10.1007/BF00480863 text/html Onlinezugriff via DOI 1 research-article jats NATIONALLICENCE 856 40 https://doi.org/10.1007/BF00480863 text/html Onlinezugriff via DOI NATIONALLICENCE 700 1- Perevalov V. D. I. Mendeleev Moscow Institute of Chemical Technology, 125820, Moscow aut NATIONALLICENCE 700 1- Baryshnenkova L. D. I. Mendeleev Moscow Institute of Chemical Technology, 125820, Moscow aut NATIONALLICENCE 700 1- Sheban G. D. I. Mendeleev Moscow Institute of Chemical Technology, 125820, Moscow aut NATIONALLICENCE 700 1- Karim A. D. I. Mendeleev Moscow Institute of Chemical Technology, 125820, Moscow aut NATIONALLICENCE 700 1- Kramarenko S. D. I. Mendeleev Moscow Institute of Chemical Technology, 125820, Moscow aut NATIONALLICENCE 700 1- Koldaeva T. D. I. Mendeleev Moscow Institute of Chemical Technology, 125820, Moscow aut NATIONALLICENCE 700 1- Stepanov B. D. I. Mendeleev Moscow Institute of Chemical Technology, 125820, Moscow aut NATIONALLICENCE 773 0- Chemistry of Heterocyclic Compounds Kluwer Academic Publishers-Plenum Publishers 26/8(1990-08-01), 887-890 0009-3122 26:8<887 1990 26 10593 Metadata rights reserved Springer special CC-BY-NC licence nationallicence BK010053 XK010053 XK010000 NATIONALLICENCE NATIONALLICENCE NL-springer