原子与分子物理学报
原子與分子物理學報
원자여분자물이학보
CHINESE JOURNAL OF ATOMIC AND MOLECULAR PHYSICS
2008年
1期
93-98
,共6页
许新胜%朱光来%陆同兴%崔执凤
許新勝%硃光來%陸同興%崔執鳳
허신성%주광래%륙동흥%최집봉
CIDEP%RTPM%密度矩阵运动方程
CIDEP%RTPM%密度矩陣運動方程
CIDEP%RTPM%밀도구진운동방정
CIDEP%RTPM%motion equation of density matrix
基于考虑含E(S2Tξ-S2Tη) 项的相互作用全哈密顿,利用密度矩阵运动方程,对自由基-三重态对机理的CIDEP强度进行了详细的理论计算.计算结果表明:四重态母体自由基-三重态机理(QP-RTPM)和二重态母体自由基-三重态机理(DP-RTPM)分别使稳定自由基形成发射+发射/吸收(E+E/A)和吸收+吸收/发射(A+A/E)型多重性极化,其中净E(A)极化由零场分裂相互作用产生,超精细相关E/A(A/E)极化由超精细相互作用产生.另外,零场分裂相互作用项E(S2Tξ-S2Tη) ,使稳定自由基的净极化减弱,超精细相关极化加强.
基于攷慮含E(S2Tξ-S2Tη) 項的相互作用全哈密頓,利用密度矩陣運動方程,對自由基-三重態對機理的CIDEP彊度進行瞭詳細的理論計算.計算結果錶明:四重態母體自由基-三重態機理(QP-RTPM)和二重態母體自由基-三重態機理(DP-RTPM)分彆使穩定自由基形成髮射+髮射/吸收(E+E/A)和吸收+吸收/髮射(A+A/E)型多重性極化,其中淨E(A)極化由零場分裂相互作用產生,超精細相關E/A(A/E)極化由超精細相互作用產生.另外,零場分裂相互作用項E(S2Tξ-S2Tη) ,使穩定自由基的淨極化減弱,超精細相關極化加彊.
기우고필함E(S2Tξ-S2Tη) 항적상호작용전합밀돈,이용밀도구진운동방정,대자유기-삼중태대궤리적CIDEP강도진행료상세적이론계산.계산결과표명:사중태모체자유기-삼중태궤리(QP-RTPM)화이중태모체자유기-삼중태궤리(DP-RTPM)분별사은정자유기형성발사+발사/흡수(E+E/A)화흡수+흡수/발사(A+A/E)형다중성겁화,기중정E(A)겁화유령장분렬상호작용산생,초정세상관E/A(A/E)겁화유초정세상호작용산생.령외,령장분렬상호작용항E(S2Tξ-S2Tη) ,사은정자유기적정겁화감약,초정세상관겁화가강.
Based on the whole zero field splitting (zfs) inte
raction of triplet molecule in the interaction Hamiltonian of stable radicals and excited triplet molecules complexes, the intensity of chemical induced dynamic electron polarization (CIDEP) originated from RTPM were theoretically calculated in detail. In the calculation, the second order perturbation theory and the motion equation are used. The result of calculation indicates that the polarization pattern is hyperfine related E+E/A or A+A/E pattern, in which the net emissive or net absorptive polarization results from the zero field splitting (zfs) and the E/A or A/E polarization results from hyperfine (hf) interactions of the radical. Furthermore, the zero field splitting interaction E(S2Tξ-S2Tη) makes the net polarization decrease and the hyperfine dependent polarization increase.