Organic polymers with indirect magnetic interaction caused by the molecular topology of the elementary units

被引:22
作者
Dietz, F
Tyutyulkov, N
机构
[1] Univ Leipzig, Wilhelm Ostwald Inst Phys & Theoret Chem, Fac Chem, D-04109 Leipzig, Germany
[2] Univ Sofia, Fac Chem, Chair Phys Chem, BG-1126 Sofia, Bulgaria
关键词
spin states and magnetic interactions; polymers; electric and magnetic properties;
D O I
10.1016/S0301-0104(00)00389-X
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
The magnetic properties of two classes of open-shell pi -systems, namely diradicals and one-dimensional polymers, having frontier non-overlapping non-bonding MOs (NBMOs) localized within the monoradical units have been studied theoretically. The non-overlap and localization of the NBMOs is determined by the topology of the pi -systems, and can be explained by means of the extended Coulson-Rushbrooke-Longuet-Higgins theorem. The localization and non-overlapping of the NBMOs results in vanishing of the direct (Hund) and the kinetic exchange interaction between the unpaired electrons. The indirect exchange of the unpaired electrons (spin polarization exchange) is the only contribution to the effective exchange integral and occurs via the delocalized pi -electrons in the filled energy bands. A comparison of our models is accomplished with the indirect exchange in rare earth compounds (f-s model) and with the superexchange of the Kramers-Anderson model. (C) 2001 Elsevier Science B.V. All rights reserved.
引用
收藏
页码:37 / 51
页数:15
相关论文
共 62 条
[1]   NEW APPROACH TO THE THEORY OF SUPEREXCHANGE INTERACTIONS [J].
ANDERSON, PW .
PHYSICAL REVIEW, 1959, 115 (01) :2-13
[2]   ANTIFERROMAGNETISM - THEORY OF SUPEREXCHANGE INTERACTION [J].
ANDERSON, PW .
PHYSICAL REVIEW, 1950, 79 (02) :350-356
[3]  
ANDERSON PW, 1963, SOLID STATE PHYSICS, V14
[4]   Reverting the effect of magnetic couplers in bridged di- and polyradicals [J].
Baumgarten, M ;
Karabunarliev, S .
CHEMICAL PHYSICS, 1999, 244 (01) :35-47
[5]  
BORDEN WT, 1994, ACCOUNTS CHEM RES, V27, P111
[6]   SUPERCONDUCTIVITY IN ORGANIC METALS BASED ON AN INDIRECT EXCHANGE PAIRING MECHANISM [J].
CHANDRAN, L ;
JANSEN, L .
CHEMICAL PHYSICS, 1993, 169 (01) :1-10
[7]   THE ELECTRONIC STRUCTURE OF CONJUGATED SYSTEMS .5. THE INTERACTION OF 2 CONJUGATED SYSTEMS [J].
COULSON, CA ;
LONGUETHIGGINS, HC .
PROCEEDINGS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL AND PHYSICAL SCIENCES, 1948, 195 (1041) :188-197
[8]  
Coulson CA, 1940, P CAMB PHILOS SOC, V36, P193
[9]   THE ELECTRONIC STRUCTURE OF CONJUGATED SYSTEMS .2. UNSATURATED HYDROCARBONS AND THEIR HETERO-DERIVATIVES [J].
COULSON, CA ;
LONGUETHIGGINS, HC .
PROCEEDINGS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL AND PHYSICAL SCIENCES, 1947, 192 (1028) :16-32
[10]   THE ELECTRONIC STRUCTURE OF CONJUGATED SYSTEMS .1. GENERAL THEORY [J].
COULSON, CA ;
LONGUETHIGGINS, HC .
PROCEEDINGS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL AND PHYSICAL SCIENCES, 1947, 191 (1024) :39-60