Vibron phonon in a lattice of H-bonded peptide units: A criterion to discriminate between the weak and the strong coupling limit

被引:17
|
作者
Pouthier, Vincent [1 ]
机构
[1] Univ Franche Comte, CNRS, Inst UTINAM, UMR 6213, F-25030 Besancon, France
来源
JOURNAL OF CHEMICAL PHYSICS | 2010年 / 132卷 / 03期
关键词
ground states; hydrogen bonds; molecular biophysics; molecular moments; phonons; vibrational states; MOLECULAR-CRYSTALS; ABSORPTION-SPECTRA; MASTER-EQUATIONS; ELECTRON-PHONON; TRANSPORT; QUANTUM; SPECTROSCOPY; PROTEINS; POLARON; ENERGY;
D O I
10.1063/1.3297947
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
Based on dynamical considerations, a simple and intuitive criterion is established to measure the strength of the vibron-phonon coupling in a lattice of H-bonded peptide units. The main idea is to compare separately the influence of both the vibron-phonon coupling and the dipole-dipole interaction on a specific element of the vibron reduced density matrix. This element, which refers to the coherence between the ground state and a local excited amide-I mode, generalizes the concept of survival amplitude at finite temperature. On the one hand, when the dipole-dipole interaction is neglected, it is shown that dephasing-limited coherent dynamics is induced by the vibron-phonon coupling. On the other hand, when the vibron-phonon coupling is disregarded, decoherence occurs due to dipole-dipole interactions since the local excited state couples with neighboring local excited states. Therefore, our criterion simply states that the strongest interaction is responsible for the fastest decoherence. It yields a critical coupling chi(*)approximate to 25 pN at biological temperature.
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页数:7
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