Calculation of transient CIDEP spectra of spin-correlated radical pairs in nanotubes

被引：2
|
作者：
Lukzen, N. N.
Ivanov, K. L.
Morozov, V. A.
Kattnig, D. R.
Grampp, G.
机构：
[1] Int Tomog Ctr, Novosibirsk 630090, Russia
[2] Novosibirsk State Univ, Novosibirsk 630090, Russia
[3] Free Univ Berlin, D-14195 Berlin, Germany
[4] Graz Univ Technol, A-8010 Graz, Austria
来源：
CHEMICAL PHYSICS | 2006年 / 328卷 / 1-3期
基金：
俄罗斯基础研究基金会;
关键词：
CIDEP; EPR; nanochemistry; radical pairs;
D O I：
10.1016/j.chemphys.2006.06.014
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 chemically induced dynamic electron polarization (CIDEP) formed by spin-correlated radical pairs in nanotubes is studied theoretically. Numerical solutions of the stochastic Liouville equation of the density operator are obtained by finite-difference methods. The nanotube is modelled as a one-dimensional nanoreactor with the relative motion of the radicals assumed to be free diffusion. The effect of the non-averaged dipole-dipole interaction of the electron spins on the CIDEP formation is studied in detail. Furthermore, the influence of the radical mobility and the nanotube orientation with respect to the external magnetic field are elucidated. (c) 2006 Elsevier B.V. All rights reserved.
引用
收藏
页码：75 / 84
页数：10
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