caa a22 4500 463239547 CHVBK 20180405153308.0 cr unu---uuuuu 170326e20070501xx s 000 0 eng 10.1007/s10947-007-0066-0 doi (NATIONALLICENCE)springer-10.1007/s10947-007-0066-0 Structure and molecular polarizability of mesogenic Shiff bases from quantum chemical calculation data [Elektronische Daten] [G. Zhurko, V. Aleksandriiskii, M. Islyaikin, V. Burmistrov] The molecular polarizability of a number of Shiff bases and compounds with similar structures is calculated by B3LYP/6-311G(d,p) (d 5) method. The comparison of calculated data with available experimental illustrates the stable correlation between the calculated and experimental polarization tensor components. The calculation results confirm the applicability of the additivity approximation to estimate the polarizability of azomethines with terminal substituents. The relation between the molecular anisotropy of polarizability of azomethines and the temperature of the phase transition nematic-isotropic liquid is examined. Also the effect of acoplanarity degree of azomethines on the molecular polarizability is considered. Springer Science+Business Media, Inc., 2007 polarizability nationallicence mesogenes nationallicence temperature stability nationallicence Shiff bases nationallicence azomethines nationallicence benzilidene aniline nationallicence quantum chemistry nationallicence Zhurko G. Ivanovo State Chemical Technological University, Russia aut Aleksandriiskii V. Ivanovo State Chemical Technological University, Russia aut Islyaikin M. Ivanovo State Chemical Technological University, Russia aut Burmistrov V. Ivanovo State Chemical Technological University, Russia aut Journal of Structural Chemistry Springer US 48/3(2007-05-01), 440-446 0022-4766 48:3<440 2007 48 10947 https://doi.org/10.1007/s10947-007-0066-0 text/html Onlinezugriff via DOI 1 research-article jats NATIONALLICENCE 856 40 https://doi.org/10.1007/s10947-007-0066-0 text/html Onlinezugriff via DOI NATIONALLICENCE 700 1- Zhurko G. Ivanovo State Chemical Technological University, Russia aut NATIONALLICENCE 700 1- Aleksandriiskii V. Ivanovo State Chemical Technological University, Russia aut NATIONALLICENCE 700 1- Islyaikin M. Ivanovo State Chemical Technological University, Russia aut NATIONALLICENCE 700 1- Burmistrov V. Ivanovo State Chemical Technological University, Russia aut NATIONALLICENCE 773 0- Journal of Structural Chemistry Springer US 48/3(2007-05-01), 440-446 0022-4766 48:3<440 2007 48 10947 Metadata rights reserved Springer special CC-BY-NC licence nationallicence BK010053 XK010053 XK010000 NATIONALLICENCE NATIONALLICENCE NL-springer