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    Genesis and conformation of polar twin structures in czochralski grown α-SrB4O7 crystals / N. V. Radionov [и др.] // 3 Int. Conf. “Crystallogenesis and mineralogy” : Abstracts Vol. - Новосибирск : Изд-во СО РАН, 2013. - P47-48 . - ISBN 978-5-7692-1320-5
   Перевод заглавия: Происхождение и формирование полярных двойниковых структур в кристаллах α-SrB4O7, выращенных методом Чехральского

Доп.точки доступа:
Radionov, N. V.; Радионов, Никита Вячеславович; Zaitsev, A. I.; Зайцев, Александр Иванович; Cherepakhin, A. V.; Черепахин, Александр Владимирович; Zamkov, A. V.; Замков, Анатолий Васильевич; International Conference on Crystallogenesis and Mineralogy (3 ; Sept. 27 – Oct. 1, 2013 ; Novosibirsk)
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Aver'yanov, E. M.
Structural and thermodynamic consequencies of the interaction of conformational degrees of freedom of azomethines in the nematic phase / E. M. Aver'yanov // J. Struct. Chem. - 2014. - Vol. 55, Is. 4. - P. 605-611, DOI 10.1134/S0022476614040039. - Cited References: 21 . - ISSN 0022-4766. - ISSN 1573-8779

РУБ Chemistry, Inorganic & Nuclear + Chemistry, Physical
Рубрики:
CONJUGATED POLY(AZOMETHINE)S
   TERMINAL SUBSTITUENTS
   ELECTRONIC-STRUCTURES
   FLUORINATED ANALOGS
   INTERNAL-ROTATION
   MOLECULES
   COMPOUND
   ANGLES
   STATE
   NMR
Кл.слова (ненормированные):
azomethines -- benzylideneaniline -- conformation -- steric effects of substituents -- nematic-isotropic liquid transition -- conformational polymorphism
Аннотация: The interaction of the conformational degrees of freedom of azomethines in the nematic phase, which is induced by electronic donor-acceptor properties of the terminal substituents of the benzylideneaniline core is studied. These degrees of freedom related to the rotation angles phi (k) around the bonds between the substituent and the aniline ring (phi(1)) and also between the CH=N bridge and the aniline ring (omega(2)) are characterized by the parameters Q (k) = aOE (c) cos(2)phi (k) >. It is found that the interaction of these degrees of freedom is manifested in the linear dependence Q (2)(Q (1)). Within the phenomenological theory the effect of this interaction on changes delta (k) in the Q (k) values during the nematic liquid crystal-isotropic liquid phase transition is revealed along with the temperature T (NI) and character of this transition. The derivation of previously established empirical dependences T (NI)(Q (k) ) is presented in the presence of direct and indirect steric effects of side substituents affecting the Q (k) values. A diverse combination of delta (k) signs in the nematic phase, which is a prerequisite for the conformational polymorphism of the nematic phases of azomethines, is shown.

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Публикация на русском языке Аверьянов, Евгений Михайлович. Структурные и термодинамические следствия взаимодействия конформационных степеней свободы азометинов [Текст] / Е. М. Аверьянов // Журн. структ. химии. - Новосибирск : Изд-во СО РАН, 2014. - Т. 55 № 4. - С. 641 - 647

Доп.точки доступа:
Аверьянов, Евгений Михайлович
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AVERYANOV, E. M.
SMECTIC-A - NEMATIC PHASE-TRANSITION IN A SYSTEM OF CONFORMATION INSTABLE MOLECULES / E. M. AVERYANOV // Fiz. Tverd. Tela. - 1983. - Vol. 25, Is. 1. - P. 293-295. - Cited References: 9 . - ISSN 0367-3294

РУБ Physics, Condensed Matter

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AVERYANOV, E. M.
CHANGE OF MOLECULE CONFORMATION AND CHARACTER OF NEMATIC-ISOTROPIC LIQUID-PHASE TRANSITION / E. M. AVERYANOV // Fiz. Tverd. Tela. - 1982. - Vol. 24, Is. 9. - P. 2839-2841. - Cited References: 15 . - ISSN 0367-3294

РУБ Physics, Condensed Matter

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Averyanov, E. M.
Orientation ordering and critical behavior of discoid nematics / E. M. Averyanov // Zhurnal Eksperimentalnoi Teor. Fiz. - 1996. - Vol. 110, Is. 5. - P. 1820-1840. - Cited References: 55 . - ISSN 0044-4510

РУБ Physics, Multidisciplinary
Рубрики:
LIQUID-CRYSTALS
   PHASE-TRANSITION
   ISOTROPIC-PHASE
   LOCAL FIELD
   SMECTIC-A
   MOLECULES
   SUSCEPTIBILITY
   CONFORMATION
   PARAMETER
   DYNAMICS

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    Аверьянов, Евгений Михайлович.
    Изменение поляризуемости молекул при фазовых переходах изотропная жидкость – нематик – смектик A – кристалл B в жидком кристалле 4O.8 / Е. М. Аверьянов // Жидк. кристаллы и их практич. использ. - 2017. - Т. 17, Вып. 2. - С. 6-13 ; Liquid Crystals and their Application, DOI 10.18083/LCAppl.2017.2.6. - Библиогр.: 24. - Данная работа выполнена в рамках проекта 0356-2015-0411 Комплексной программы Сибирского отделения РАН № II.2П. . - ISSN 1991-3966
   Перевод заглавия: Change of polarizability of molecules at the isotropic liquid - nematic - smectic A - crystal B phase transitions of the liquid crystal 4O.8
Кл.слова (ненормированные):
поляризуемость мезогенных молекул -- фазовые переходы в жидких кристаллах -- конформация молекул -- межмолекулярные взаимодействия -- polarizability of mesogenic molecules -- phase transitions in liquid crystals -- molecular conformation -- intermolecular interactions
Аннотация: Определены температурные зависимости параметров молекулярной поляризуемости (продольной и поперечной компонент, среднего значения и анизотропии) в нематической, смектической А и кристаллической В фазах жидкого кристалла 4-бутилоксибензилиден-4'-октиланилина. Для нематической фазы установлены предсказанные ранее нелинейные зависимости параметров поляризуемости от параметра ориентационного порядка молекул. Обнаружено влияние конденсации одномерной волны плотности при переходе нематик – смектик А и квазидвумерной кристаллизации слабо связанных слоев при переходе смектик А – кристалл В на изменение параметров поляризуемости. Установлена связь изменений поляризуемости в каждой фазе с изменением конформации ароматических остовов молекул и межмолекулярными взаимодействиями.
The temperature dependences of molecular polarizability parameters (longitudinal and transverse components, mean value and anisotropy) were determined in nematic, smectic A and crystalline B phases of 4-butyloxybenzylidene-4'-octylaniline (4O.8) liquid crystal. For the nematic phase, the earlier predicted nonlinear dependences of polarizability parameters on the orientational order parameter were revealed. The influence of the one-dimensional density-wave condensation at the nematic - smectic A phase transition and the quasi-twodimensional crystallization of weekly-connected smectic layers at the smectic A - crystal B phase transition on polarizability parameters was discovered. It was established that the changes of polarizability parameters within each phase of the studied liquid crystal are connected either with the change in the conformation of the aromatic molecular cores or with intermolecular interactions.

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Держатели документа:
Kirensky Institute of Physics, Federal Research Center KSC SB RAS, 50 Akademgorodok, Krasnoyarsk, Russian Federation

Доп.точки доступа:
Aver'yanov, E. M.

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The influence of chalcogen atom on conformation and phase transition in chalcogenazinoquinolinium monoiodides / I. Yushina, A. Krylov, I. I. Leonidov [et al.] // Acta Crystallogr. B. - 2021. - Vol. 77. - P. 526-536, DOI 10.1107/S2052520621004571. - Cited References: 61. - This work was supported by the Ministry of Science and High Education of Russian Federation, project FENU 2020-0019. Additional spectroscopic studies were carried out in ISSC UB RAS (Research Program No. AAAA-A19-119031890025-9). Technical assistance from Ivan D. Popov (ISSC UB RAS) is strongly acknowledged. ChemMatCARS Sector 15 is principally supported by the Divisions of Chemistry (CHE) and Materials Research (DMR), National Science Foundation, under grant number NSF/CHE-1346572. Use of the Advanced Photon Source, an Office of Science User Facility operated for the US Department of Energy (DOE) Office of Science by Argonne National Laboratory, was supported by the US DOE under Contract No. DE-AC02-06CH11357 . - ISSN 2052-5206

РУБ Chemistry, Multidisciplinary + Crystallography
Рубрики:
LARGE STOKES SHIFT
   D-PI-A
   HALOGEN BONDS
   ELECTRON LOCALIZATION
Кл.слова (ненормированные):
organic monoiodide -- phase transition -- Raman spectroscopy -- luminescence -- halogen bond
Аннотация: Crystalline chalcogenazinoquinolinium monoiodides, where the chalcogen atom is oxygen and sulfur, were studied using a combination of X-ray diffraction, Raman and UV-vis spectroscopies and photoluminescence experimental techniques. Periodic quantum-chemical calculations were performed to characterize the features of electronic structure and vibrational assignment. X-ray diffraction and Raman spectroscopy experiments consistently reveal phase transition of thiazinoquinolinium monoiodide at low temperatures with the decrease of symmetry to P1. The luminescence study for oxazinoquinolinium monoiodide reveals the excitation maximum at 532 nm and emission at 650 nm with significantly higher intensity than for the thiazinoquinolinium derivative. The studied chalcogenazinoquinolinium monoiodides demonstrate high values of Stokes shift up to 150 nm.

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Держатели документа:
South Ural State Univ, Lab Multiscale Modelling, Chelyabinsk 454080, Russia.
Kirensky Inst Phys SB RAS, Krasnoyarsk 660036, Russia.
Inst Solid State Chem UB RAS, Ekaterinburg 620990, Russia.
Univ Chicago, Chicago, IL 60637 USA.
AN Nesmeyanov Inst Organoelement Cpds RAS, Moscow 11991, Russia.

Доп.точки доступа:
Yushina, Irina; Krylov, A. S.; Крылов, Александр Сергеевич; Leonidov, Ivan I.; Batalov, Vladimir; Chen, Yu-Sheng; Wang, Suyin Grass; Stash, Adam; Bartashevich, E. V.; Ministry of Science and High Education of Russian Federation [FENU 2020-0019]; ISSC UB RAS [AAAA-A19-119031890025-9]; Divisions of Chemistry (CHE) and Materials Research (DMR), National Science Foundation [NSF/CHE-1346572]; US DOEUnited States Department of Energy (DOE) [DE-AC02-06CH11357]
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    Theoretical Study of Atomic Structure and Elastic Properties of Branched Silicon Nanowires / P. B. Sorokin [et al.] // ACS Nano. - 2010. - Vol. 4, Is. 5. - P. 2784-2790, DOI 10.1021/nn9018027. - Cited Reference Count: 28. - Гранты: P.B.S. acknowledges partial support by the National Science Foundation grant CMMI-0708096, NIRT. L.A.C. was supported by the Russian Academy of Sciences, program No. 21. P.V.A. and P.B.S. also acknowledge the collaborative RFBR-JSPS Grant No. 09-02-92107-Phi. All calculations have been performed on the Joint Supercomputer Center of the Russian Academy of Sciences. The geometry of all presented structures was visualized by ChemCraft software. - Финансирующая организация: National Science Foundation [CMMI-0708096]; NIRT; Russian Academy of Sciences [21]; RFBR-JSPS [09-02-92107-Phi] . - MAY. - ISSN 1936-0851
Рубрики:
ELECTRONIC-PROPERTIES
   BUILDING-BLOCKS
   NANOCRYSTALS
Кл.слова (ненормированные):
silicon nanowires -- elastic properties -- molecular mechanics -- Tersoff potential -- Elastic properties -- Molecular mechanics -- Silicon nanowires -- Tersoff potential -- Atomic structure -- Branch length -- Elastic properties -- Interatomic potential -- Silicon Nanowires -- Tersoff potential -- Theoretical study -- Young modulus -- Carbon nanotubes -- Elasticity -- Molecular mechanics -- Nanowires -- Stiffness -- Crystal atomic structure -- nanowire -- silicon -- article -- chemical structure -- chemistry -- conformation -- elasticity -- mechanical stress -- Young modulus -- Elastic Modulus -- Elasticity -- Models, Molecular -- Molecular Conformation -- Nanowires -- Silicon -- Stress, Mechanical
Аннотация: The atomic structure and elastic properties of Y-shaped silicon nanowires of "fork"- and "bough"-types were theoretically studied, and effective Young moduli were calculated using Tersoff interatomic potential. The oscillation of fork Y-type branched nanowires with various branch lengths and diameters was studied. In the final stages of the bending, the formation of new bonds between different parts of the wires was observed. It was found that the stiffness of the nanowires is comparable with the stiffness of Y-shaped carbon nanotubes.

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Держатели документа:
Russian Acad Sci, Emanuel Inst Biochem Phys, Moscow 119334, Russia
Russian Acad Sci, LV Kirensky Phys Inst, Krasnoyarsk 660036, Russia
Siberian Fed Univ, Krasnoyarsk 660041, Russia

Доп.точки доступа:
Sorokin, P.B.; Kvashnin, A.G.; Kvashnin, D.G.; Filicheva, J.A.; Avramov, P. V.; Аврамов, Павел Вениаминович; Chernozatonskii, L.A.; Fedorov, A. S.; Федоров, Александр Семенович
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