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Журнал структурной химии

Журнал структурной химии №5 2012 (1678,60 руб.)

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АннотацияЖурнал физико-химического профиля. Адресован специалистам, работающим в области квантовой химии, физических методов исследования, кристаллохимии, супрамолекулярной химии, структуры и свойств наноматериалов, строения жидкостей, а также широкому кругу химиков. Своеобразие журнала заключается в том, что для исследования электронного и пространственного строения химических соединений в публикуемых работах широко применяются современные физические методы, оригинальные теоретические и экспериментальные подходы. Форма публикаций - статьи, краткие сообщения, тематические обзоры по различным проблемам структурной химии. С 2004 г. Издаётся ежегодное Приложение к Журналу, в котором публикуются статьи по актуальным направлениям структурной химии. Журнал переводится на английский язык, издается и распространяется за рубежом Издательством Springer. Название англоязычного издания Journal of Structural Chemistry.
Журнал структурной химии .— Новосибирск : Издательство Сибирского отделения Российской академии наук .— 2012 .— №5 .— 203 с. — URL: https://rucont.ru/efd/200305 (дата обращения: 20.04.2024)

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. Coord. Chem. – 2003. – 56, N 8. – P. 725 – 742. 31. Raman N., Ravichandran S., Thangaraja C. // J. Chem. Sci. – 2004. – 116. – P. 215 – 219. 2012. 53, 5 – . 872 – 886 UDC 541.6:547.53 CONFORMATIONAL ANALYSIS OF 2-ANTHRYLETHYLENE DERIVATIVES: PHOTOCHEMICAL AND COMPUTATIONAL INVESTIGATION U. Srinivas1, P. Arun Kumar1, Kolupula Srinivas2,3, K. Bhanuprakash2, V. Jayathirtha Rao1 Organic Division-II, Indian Institute of Chemical Technology, Hyderabad, India Inorganic and Physical Chemistry Division, Indian Institute of Chemical Technology, Hyderabad, India, e-mail: skolupula@niperhyd.ac.in, ksrinivas07@yahoo.com 3 National Institute of Pharmaceutical Education and Research (NIPER), Balanagar, Hyderabad, India 1 2 Received November, 5, 2011 2-Anthrylethylene derivatives 1E—5E and 1Z are <...> ynthesized to study the cis—trans photoisomerization. Interestingly, unlike 9-anthrylethylene derivatives, 2-anthrylethylene derivatives 1E to 5E do not exhibit E (trans) to Z (cis) pho <...> oisomerization upon direct and triplet sensitization. One-way Z (cis) to E (trans) photoisomerization of 1Z is found to be very efficient under direct and triplet sensitization conditions, demonstrating the involvement of both singlet and triplet states. 1E—5E exhibits excitation wavelength dependent fluorescence indicating the existence of conformers (rotamers) at room temperature, which is confirmed by fluor <...> –1 to 6.3 kJ˜ mol–1 for both ground and excited states. K e y w o r d s: 2-anthryethylene derivatives, photochemical cis—trans isomerization, fluorescence, charge <...> transfer, conformational analysis, theoretical studies. INTRODUCTION The photochemical Z'E (cis'trans) iso <...> industry [ 21—24 ], and biological processes [ 25—27 ]. The light-driven E (trans) to Z (cis) isomerization of stilbene and other diarylethylenes has been a subject of active investigation because of fun <...> amental [ 3, 20 ] and practical applications [ 8, 28 ]. Stilbene undergoes conventional e <...> s is a subject of interest in photochemistry [ 38—44 ]. Rotamers of (E)-2-anthrylethylenes, particularly one-way Z(cis)oE(trans) isomerization has been studied using steady-state fluorescence [ 38, 39 ], time-correlated single-photon counting (SPC) [ 39—42 ], time-gated fluorescence spectroscopy [ 45, 46 ], principal component analysis with self-modeling <...>
Журнал_структурной_химии_№5_2012.pdf
-   -    -  -   1960 .    53 -               -   ..,  ..      ,   :   CCSD(T)     :  ,  ,  ,  ,  –,  ,  ,   ,        .,  .,  .,  .., - ..         :  , , ,         ..,  ..,  ..,  ..             . III. -  : , ,  ,  ,    ..,  ..,  ..,  ..       (III)   4,4-4--N--N-  : , ,  ,  (III), -,     - - 2012 865 855 849 839 - 6     5, 2012
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Srinivas U., Arun Kumar P., Srinivas Kolupula, Bhanuprakash K., Jayathirtha Rao V. Conformational analysis of 2-anthrylethylene derivatives: photochemical and computational investigation Keywords: 2-anthryethylene derivatives, photochemical cis-trans isomerization, fluorescence, charge transfer, conformational analysis, theoretical studies Kumar A., Chanu O.B., Borthakur R., Lal R.A. Characterization of heterobimetallic and mixed-valence complexes of molybdenum(V) derived from bis(2-hydroxy-1-naphthaldehyde)malonoyldihydrazone Keywords: synthesis, characterization, molybdenum(V), heterometal, hydrazone, spectroscopic studies  ..,  ..,  ..          -   :  , ,   ,         .. -     :  ,  , - ,    ..,  ..      ,      :  ,  ,  ,   -  ..,  ..   KNaNbOF5  :  -,  , O/F , «»   ..,  ..,  .. –)3 · 32 927      [Fe(2)6]3+(ClO4  :   (III),  ,  - 922 912 904 896 887 872
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Luo S.-Y., Wu X.-L., Hu Q.-P., Wang J.-X., Liu C.-Z., Sun Y.-Y. Structural characterization of a new decavanadate compound with organic molecules and inorganic ions Keywords: decavanadate cluster, three-dimensional array, crystal structure, single crystal X-ray analysis, metal-organic compounds Pérez H., Corrêa R.S., O'Reilly B., Plutín A.M., Silva C.C.P., Mascarenhas Y.P. Spectroscopic characterization and crystal structure of cis-bis(N-(2-benzoyl)-N',N'-diphenylthioureatok2O,S)nickel(II) Keywords: nickel(II) complex, acylthiourea derivatives, spectroscopic analysis, crystal structure, molecular assembly, Hirshfeld surface Czylkowska A., Kruszyski R., Kaczmarek A., Markiewicz M. Crystal structure of the compounds [Ln(H2O)8](CCl3COO)4(H2O)4·(4-bpy)2·(4-bpyH)+ (Ln(III)=Gd, Tb, Er and Tm) Keywords: lanthanide compounds, 4,4’-bipyridine, trichloroacetates, crystal structures Anitha S., Karthikeyan J., Nityananda Shetty A. Molecular structure and conformation study of p-[N,N-bis(2-chloroethyl)aminobenzaldehyde4-phenyl thiosemicarbazone Keywords: phenyl thiosemicarbazone, thiosemicarbazone, p-[N,N-bis(2-chloroethyl)aminobenzaldehyde – 4-phenyl thiosemicarbazone, spectral studies ahin Z.S., Özkan ., Köksal M., Ik . 5-(3,4-Dichlorophenyl)-3-”[4-(2-pyridyl)piperazine1-yl]methyl–-1,3,4-oxadiazole-2(3H)-one: synthesis, characterization, X-ray and DFT structures Keywords: 1,3,4-oxadiazole, piperazine ring, synthesis, X-ray crystallography, DFT Srinivasan B.R., Ragavaiah P., Shirsat R.N., Menezes J.C.J.M.D.S., Kamat S.P. Single crystal X-ray analysis of the isomeric 2-(2,4,4trimethyl-3,4-dihydro-2H-benzo[h]chromen-2-yl)1-naphthyl acetate and 3-(2,4,4-trimethyl-3,4-dihydro2H-benzo[g]chromen-2-yl)-2-naphthyl acetate Keywords: 2-(2,4,4-trimethyl-3,4-dihydro-2H-benzo[h]chromen2-yl)-1-naphthyl acetate, 3-(2,4,4-trimethyl-3,4-dihydro-2Hbenzo[g]chromen-2-yl)-2-naphthyl acetate, naphthopyran, benzoflavans, crystal structure, structural isomers  ..,  ..,  ..     (-1)(-4-)  (4,4)-1-(-4-)   : N-   , C–F–-, -,  , -, -  967 962 957 951 946 941 935
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