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Updated: Jun 8, 2025

Vibrational Spectra of a N719-Chromophore/Titania Interface from Empirical-Potential Molecular-Dynamics Simulation, Solvated by a Room Temperature Ionic Liquid
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Vibrational Spectra of a N719-Chromophore/Titania Interface from Empirical-Potential Molecular-Dynamics Simulation, Solvated by a Room Temperature Ionic Liquid

Published on: January 25, 2020

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通过原子学模拟,通过了解性离子液体[DEMA][TfO]的红外光谱

Federico Parisi1,2,3,4, Yingzhen Chen2,3, Klaus Wippermann2

  • 1Institute of Energy Technologies Theory and Computation of Energy Materials (IET-3), Forschungszentrum Jülich, 52425 Jülich, Germany.

Physical chemistry chemical physics : PCCP
|November 1, 2024
PubMed
概括

高温燃料电池需要更好的电解质. 这项研究使用光谱和模拟分析二甲基三酸盐 ([DEMA][TfO]),揭示了离子相互作用如何影响其作为无水电解质的性能.

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From Molecules to Materials: Engineering New Ionic Liquid Crystals Through Halogen Bonding

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相关概念视频

IR Spectroscopy: Molecular Vibration Overview01:24

IR Spectroscopy: Molecular Vibration Overview

When Infrared (IR) radiation passes through a covalently bonded molecule, the bonds transition from lower to higher vibrational levels. The fundamental vibrational motions that result in infrared absorption can be classified as stretching or bending vibrations.
Stretching vibrations are vibrational motions that occur along the bond line, changing the bond length or distance between two bonded atoms. They are further distinguished as symmetric or asymmetric. In symmetric stretching, the...
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Intermolecular Forces03:13

Intermolecular Forces

Atoms and molecules interact through bonds (or forces): intramolecular and intermolecular. The forces are electrostatic as they arise from interactions (attractive or repulsive) between charged species (permanent, partial, or temporary charges) and exist with varying strengths between ions, polar, nonpolar, and neutral molecules. The different types of intermolecular forces are ion–dipole, dipole–dipole, hydrogen bonds, and dispersion; among these, dipole–dipole, hydrogen...
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IR Spectrum Peak Intensity: Dipole Moment01:20

IR Spectrum Peak Intensity: Dipole Moment

The dipole moment of a bond is the product of the partial charge on either atom and the distance between them. Dipole moments influence the efficiency of IR absorption and the peak intensity. When a bond with a dipole moment is placed in an electric field, the direction of the field determines if the bond is compressed or stretched. Electromagnetic radiation consists of an electric field component that rapidly reverses direction. It follows that polar bonds are alternately stretched and...
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