Molecular dynamics in high electric fields

被引:2
|
作者
Apostol, M. [1 ]
Cune, L. C. [1 ]
机构
[1] Inst Atom Phys, Dept Theoret Phys, MG-6,POB MG 35, Magurele, Romania
关键词
Rotation molecular spectra; High electric fields; Parametric resonance; Spontaneous polarization; Highly-oscillating electric fields; NONRESONANT LASER FIELDS; SPACE QUANTIZATION; ROTATIONAL MOTION; ALIGNMENT; ORIENTATION; CRYSTALS;
D O I
10.1016/j.chemphys.2016.03.015
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
Molecular rotation spectra, generated by the coupling of the molecular electric-dipole moments to an external time-dependent electric field, are discussed in a few particular conditions which can be of some experimental interest. First, the spherical-pendulum molecular model is reviewed, with the aim of introducing an approximate method which consists in the separation of the azimuthal and zenithal motions. Second, rotation spectra are considered in the presence of a static electric field. Two particular cases are analyzed, corresponding to strong and weak fields. In both cases the classical motion of the dipoles consists of rotations and vibrations about equilibrium positions; this motion may exhibit parametric resonances. For strong fields a large macroscopic electric polarization may appear. This situation may be relevant for polar matter (like pyroelectrics, ferroelectrics), or for heavy impurities embedded in a polar solid. The dipolar interaction is analyzed in polar condensed matter, where it is shown that new polarization modes appear for a spontaneous macroscopic electric polarization (these modes are tentatively called "dipolons"); one of the polarization modes is related to parametric resonances. The extension of these considerations to magnetic dipoles is briefly discussed. The treatment is extended to strong electric fields which oscillate with a high frequency, as those provided by high-power lasers. It is shown that the effect of such fields on molecular dynamics is governed by a much weaker, effective, renormalized, static electric field. (C) 2016 Elsevier B.V. All rights reserved.
引用
收藏
页码:262 / 269
页数:8
相关论文
共 50 条
  • [21] Molecular dynamics study of the effects of static and oscillating electric fields in ovalbumin
    Muller, Wagner Augusto
    Sarkis, Julia Ribeiro
    Marczak, Ligia Damasceno Ferreira
    Muniz, Rodrigues
    INNOVATIVE FOOD SCIENCE & EMERGING TECHNOLOGIES, 2022, 75
  • [22] Human aquaporin 4 gating dynamics in dc and ac electric fields: A molecular dynamics study
    Garate, J. -A.
    English, Niall J.
    MacElroy, J. M. D.
    JOURNAL OF CHEMICAL PHYSICS, 2011, 134 (05):
  • [23] The effect of electric fields in methane hydrate growth and dissociation: A molecular dynamics simulation
    Xu, Tingting
    Lang, Xuemei
    Fan, Shuanshi
    Wang, Yanhong
    Chen, Jianbiao
    COMPUTATIONAL AND THEORETICAL CHEMISTRY, 2019, 1149 : 57 - 68
  • [24] Enhancing the Oxidation of Toluene with External Electric Fields: a Reactive Molecular Dynamics Study
    Shen Tan
    Tao Xia
    Yao Shi
    Jim Pfaendtner
    Shuangliang Zhao
    Yi He
    Scientific Reports, 7
  • [25] Molecular dynamics evidence for nonthermal effects of electric fields on pectin methylesterase activity
    Samaranayake, Chaminda P.
    Sastry, Sudhir K.
    PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2021, 23 (26) : 14422 - 14432
  • [26] Enhancing the Oxidation of Toluene with External Electric Fields: a Reactive Molecular Dynamics Study
    Tan, Shen
    Xia, Tao
    Shi, Yao
    Pfaendtner, Jim
    Zhao, Shuangliang
    He, Yi
    SCIENTIFIC REPORTS, 2017, 7
  • [27] Redox and conformational equilibria and dynamics of cytochrome c at high electric fields
    Wackerbarth, H
    Hildebrandt, P
    CHEMPHYSCHEM, 2003, 4 (07) : 714 - 724
  • [28] RichMol: A general variational approach for rovibrational molecular dynamics in external electric fields
    Owens, Alec
    Yachmenev, Andrey
    JOURNAL OF CHEMICAL PHYSICS, 2018, 148 (12):
  • [29] ELECTRIC BIREFRINGENCE OF FLEXIBLE POLYMERS IN HIGH FIELDS - BROWNIAN DYNAMICS SIMULATION
    GOFF, RB
    KAREL, SF
    PRUDHOMME, RK
    JOURNAL OF CHEMICAL PHYSICS, 1994, 100 (03): : 2289 - 2297
  • [30] CONFORMATIONAL DYNAMICS OF MEMBRANE-PROTEINS IN HIGH ELECTRIC-FIELDS
    NEUMANN, E
    STUDIA BIOPHYSICA, 1983, 94 : 107 - 114