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    Chemical bonding effect in complex oxyfluorides with transition metals / V. V. Atuchin [et al.] // The 7th Russian-French workshop on Nanosciences and Nanotechnologies : Program and abstract book / ed. A. V. Okotrub. - 2013. - P. 29 . - ISBN 978-5-901688-29-8
   Перевод заглавия: Особенности химических связей в сложных оксифлюоридах, содержащих переходные металлы

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Доп.точки доступа:
Okotrub, A.V. \ed.\; Atuchin, V. V.; Isaenko, L. I.; Kesler, V. G.; Laptash, N. M.; Molokeev, M. S.; Молокеев, Максим Сергеевич; Russian-French workshop on Nanosciences and Nanotechnologies(7 ; 2013 ; Jun. ; 3-6 ; Новосибирск); Российская академия наук; Сибирское отделение РАН; Институт неорганической химии им. А.В. Николаева Сибирского отделения РАН; Институт катализа им. Г.К. Борескова Сибирского отделения РАН; Институт физики полупроводников им. А.В. Ржанова Сибирского отделения РАН
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    Chemical bonding effect in complex oxyfluorides with transition metals / V. V. Atuchin [et al.] // 3 Int. Conf. on the Advancement of Mater. and Nanotechn. (ICAMN 2013) : Programme and abstracts book. - 2013. - P. 68
   Перевод заглавия: Эффект химического связывания в оксифторидах с переходными металлами
Кл.слова (ненормированные):
XPS -- oxyfluoride -- transition metals -- crystal structure -- bonding

Доп.точки доступа:
Atuchin, V. V.; Isaenko, L. I.; Kesler, V. G.; Laptash, N. M.; Molokeev, M. S.; Молокеев, Максим Сергеевич; International Conference on the Advancement of Materials and Nanotechnology (3 ; 2013 ; Nov. ; 19-22 ; Penang, Malaysia)
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Golovnev, N.
Bridging behaviour of the 2-thiobarbiturate anion in its complexes with LiI and NaI / N. Golovnev, M. Molokeev // Acta Crystallographica Section C Crystal Structure Communications. - 2013. - Vol. 69, Pt. 7. - P. 704-708, DOI 10.1107/S0108270113014078 . - ISSN 0108-2701
Кл.слова (ненормированные):
2-thiobarbituric acid -- Coordinated water -- Dihydrates -- Edge sharing -- Hydrogen bonding interactions -- Three-dimensional networks -- Atoms -- Complex networks -- Hydrogen bonds -- Ligands -- Negative ions -- Positive ions -- Three dimensional -- Lithium
Аннотация: The structures of the LiI and NaI salts of 2-thiobarbituric acid (2-sulfanylidene-1-3-diazinane-4,6-dione, H 2TBA) have been studied. μ-Aqua-octaaquabis(μ-2- thiobarbiturato-κ2 O:O′)bis(2-thiobarbiturato-κO) tetralithium(I) dihydrate, [Li4(C4H3N 2O2S)4(H2O)9]·2H 2O, (I), crystallizes with four symmetry-independent four-coordinated LiI cations and four independent HTBA- anions. The structure contains two structurally non-equivalent LiI cations and two non-equivalent HTBA- anions (bridging and terminal). Eight of the coordinated water ligands are terminal and the ninth acts as a bridge between LiI cations. Discrete [Li4(HTBA)4(H2O)9] ·2H2O complexes form two-dimensional layers. Neighbouring layers are connected via hydrogen-bonding interactions, resulting in a three-dimensional network. Poly[μ2-aqua-tetraaqua(μ4-2- thiobarbiturato-κ4 O:O:S:S)(μ2-thiobarbiturato- κ2 O:S)disodium(I)], [Na2(C4H 3N2O2S)2(H2O) 5] n , (II), crystallizes with six-coordinated NaI cations. The octahedra are pairwise connected through edge-sharing by a water O atom and an O atom from the μ4-HTBA- ligand, and these pairs are further top-shared by the S atoms to form continuous chains along the a direction. Two independent HTBA- ligands integrate the chains to give a three-dimensional network. © 2013 International Union of Crystallography.

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Держатели документа:
Siberian State Univ, Krasnoyarsk 660041, Russia
Russian Acad Sci, Siberian Branch, LV Kirensky Phys Inst, Krasnoyarsk 660036, Russia

Доп.точки доступа:
Molokeev, M. S.; Молокеев, Максим Сергеевич
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    Electronic structure of β-RbSm(MoO4)2 and chemical bonding in molybdates / V. V. Atuchin [et al.] // Dalton Trans. - 2015. - Vol. 44, Is. 4. - P. 1805-1815, DOI 10.1039/c4dt03203a. - Cited References: 121. - VVA and ASA gratefully acknowledge the Ministry of Education and Science of the Russian Federation for financial support. ZL acknowledges the support by National Natural Science Foundation of China (11174297 and 11474292), the National Basic Research Project of China (2011CB922204), and Foundation of the Director of Technical Institute of Physics and Chemistry, CAS. The work was partially supported by RAS Project 24-29 and RFBR Grant 13-02-00825. . - ISSN 1477-9226. - ISSN 1477-9234
   Перевод заглавия: Электронная структура бета-RbSm(MoO4)2 и химическая связь в молибдатах

РУБ Chemistry, Inorganic & Nuclear
Рубрики:
RAY PHOTOELECTRON-SPECTROSCOPY
   CRYSTAL-STRUCTURE
   X-RAY
   NEUTRON-DIFFRACTION
   MAGNETIC-PROPERTIES
   PHASE-FORMATION
   CORE LEVELS
   2ND-HARMONIC GENERATION
   LUMINESCENCE PROPERTIES
   VIBRATIONAL PROPERTIES
Аннотация: Microcrystals of orthorhombic rubidium samarium molybdate, beta-RbSm(MoO4)(2), have been fabricated by solid state synthesis at T = 450 degrees C, 70 h, and at T = 600 degrees C, 150 h. The crystal structure has been refined by the Rietveld method in space group Pbcn with cell parameters a = 5.0984(2), b = 18.9742(6) and c = 8.0449(3) angstrom (R-B = 1.72%). Thermal properties of beta-RbSm(MoO4)(2) were traced by DSC over the temperature range of T = 20-965 degrees C, and the earlier reported β ↔ α phase transition at T similar to 860-910 degrees C was not verified. The electronic structure of beta-RbSm(MoO4) 2 was studied by employing theoretical calculations and X-ray photoelectron spectroscopy. It has been established that the O 2p-like states contribute mainly to the upper part of the valence band and occupy the valence band maximum, whereas the Mo 4d-like states contribute mainly to the lower part of the valence band. Chemical bonding effects have been analysed from the element core level binding energy data. In addition, it was found that the luminescence spectrum of beta-RbSm(MoO4)(2) is rather peculiar among the Sm3+ containing materials. The optical refractive index dispersion in beta-RbSm(MoO4)(2) was also predicted by the first-principles calculations.

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Держатели документа:
RAS, Inst Semicond Phys, Lab Opt Mat & Struct, SB, Novosibirsk 630090, Russia
Tomsk State Univ, Funct Elect Lab, Tomsk 634050, Russia
Novosibirsk State Univ, Lab Semicond & Dielectr Mat, Novosibirsk 630090, Russia
RAS, Kirensky Inst Phys, Lab Coherent Opt, SB, Krasnoyarsk 660036, Russia
Siberian Fed Univ, Krasnoyarsk 660041, Russia
RAS, Baikal Inst Nat Management, Lab Oxide Syst, SB, Ulan Ude 670047, Russia
Gen Res Inst Nonferrous Met, Beijing 100088, Peoples R China
RAS, Inst Semicond Phys, Lab Nanodiagnost & Nanolithog, SB, Novosibirsk 630090 90, Russia
RAS, Inst Semicond Phys, Lab Phys Bases Integrated Microelect, SB, Novosibirsk 630090 90, Russia
RAS, Kirensky Inst Phys, Lab Crystal Phys, SB, Krasnoyarsk 660036, Russia
RAS, Kirensky Inst Phys, Lab Mol Spect, SB, Krasnoyarsk 660036, Russia
Chinese Acad Sci, Tech Inst Phys & Chem, Beijing 100190, Peoples R China

Доп.точки доступа:
Atuchin, V. V.; Aleksandrovsky, A. S.; Александровский, Александр Сергеевич; Chimitova, O. D.; Diao, C. P.; Gavrilova, T. A.; Kesler, V. G.; Molokeev, M. S.; Молокеев, Максим Сергеевич; Krylov, A. S.; Крылов, Александр Сергеевич; Bazarov, B. G.; Bazarova, J. G.; Lin, Z. S.; Ministry of Education and Science of the Russian Federation; National Natural Science Foundation of China [11174297, 11474292]; National Basic Research Project of China [2011CB922204]; Foundation of the Director of Technical Institute of Physics and Chemistry, CAS; RAS [24-29]; RFBR [13-02-00825]
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Surface bonding states of nano-crystalline diamond balls / J. L. Peng [et al.] // Int. J. Mod. Phys. B. - 2001. - Vol. 15, Is. 31. - P. 4071-4085, DOI 10.1142/S0217979201007865. - Cited References: 20 . - ISSN 0217-9792

РУБ Physics, Applied + Physics, Condensed Matter + Physics, Mathematical
Рубрики:
PLASMON RESPONSE
   POWDER
   SPECTROSCOPY
   MICROSCOPY
   SILICON
   SI(111)
Кл.слова (ненормированные):
diamond -- article -- crystal structure -- electron -- energy transfer -- nanoparticle -- particulate matter -- structure analysis -- surface property -- transmission electron microscopy
Аннотация: The rough surface of nano-crystalline diamond spheres induces surface electronic states which appear as a broadened pre-peak over approx. 15 eV at the C K-edge energy threshold for carbon in the parallel electron energy loss spectrum (PEELS). This appears to be at least partially due to 1s-pi* transitions, although typically the latter occupy a range of only 4 eV for the sp(2) edge of highly-oriented pyrollytic graphite (HOPG). No pi* electrons appear in the conduction band inside the diamond particles, where all electrons are sp(3) hybridized. PEELS data were also obtained from a chemical vapour deposited diamond film (CVDF) and gem-quality diamond for comparison with the spectra of nano-diamonds. The density of sp(2) and sp(3) states on the surface of diamond nano-crystals is calculated for simple structural models of the diamond balls, including some conjecture about surface structures. The results are used to interpret the sp(2)/sp(3) ratios measured from the PEELS spectra recorded as scans across the particles. Surface roughness at the atomic scale was also examined using high-resolution transmission electron microscopy (HRTEM) and electron nano-diffraction patterns were used to confirm the crystal structures.

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Держатели документа:
RMIT Univ, Dept Appl Phys, Melbourne, Vic 3051, Australia
Univ Sydney, Electron Microscope Unit, Sydney, NSW 2006, Australia
Russian Acad Sci, Siberian Branch, LV Kirensky Phys Inst, Mol Architecture Grp, Krasnoyarsk 660036, Russia
Russian Acad Sci, Siberian Branch, Inst Biophys, Krasnoyarsk 660036, Russia
Univ Melbourne, Sch Phys, Parkville, Vic 3052, Australia
ИФ СО РАН
ИБФ СО РАН
Department of Applied Physics, RMIT University, Swanston Street, Melbourne, Vic. 3051, Australia
Electron Microscope Unit, University of Sydney, NSW 2006, Australia
Molecular Architecture Group, Kirensky Institute of Physics, Institute of Biophysics, 660036 Krasnoyarsk, Russian Federation
School of Physics, University of Melbourne, Parkville, Vic. 3010, Australia

Доп.точки доступа:
Peng, J. L.; Bulcock, S.; Belobrov, P. I.; Белобров, Петр Иванович; Bursill, L. A.
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Krasnov, P. O.
Exited electronic states of porphyrin-fullerene dyads with different type of bonding / P. O. Krasnov, Y. M. Milyutina // Workshop "Trends in Nanomechanics and Nanoengineering" : book of abstracts / предс. сем. K. S. Aleksandrov ; зам. предс. сем.: G. S. Patrin, S. G. Ovchinnikov ; чл. лок. ком.: N. N. Kosyrev, A. S. Fedorov [et al]. - 2009. - P. 34

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Доп.точки доступа:
Aleksandrov, K. S. \предс. сем.\; Александров, Кирилл Сергеевич; Patrin, G. S. \зам. предс. сем.\; Патрин, Геннадий Семёнович; Ovchinnikov, S. G. \зам. предс. сем.\; Овчинников, Сергей Геннадьевич; Kosyrev, N. N. \чл. лок. ком.\; Косырев, Николай Николаевич; Fedorov, A. S. \чл. лок. ком.\; Федоров, Александр Семенович; Milyutina, Y. M.; Краснов, Павел Олегович; "Trends in Nanomechanics and Nanoengineering", workshop(2009 ; Aug. ; 24-28 ; Krasnoyarsk); Сибирский федеральный университет; Институт физики им. Л.В. Киренского Сибирского отделения РАН
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Electronic Parameters of K3WO3F3 and W-O Bonding / V. V. Atuchin, T. A. Gavrilova, V. G. Kesler [et al.] // 2009 10th Annual International Conference and Seminar on Micro/Nanotechnologies and Electron Devices (EDM 2009) : proceedings / ed. A. S. Yakovlev : IEEE, 2009. - P92-95. - (978-1-4244-4571-4)DOI 10.1109/EDM.2010.5568647

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Доп.точки доступа:
Yakovlev, Artem S. \ed.\; Atuchin, V. V.; Gavrilova, T. A.; Kesler, V. G.; Molokeev, M. S.; Молокеев, Максим Сергеевич; Aleksandrov, K. S.; Александров, Кирилл Сергеевич; International Conference and Seminar on Micro/Nanotechnologies and Electron Devices(10 ; 2009 ; July ; 1-6 ; Novosibirsk, Russia)
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