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Recent advancements in infrared frequency combs will enable recording of coherent two-dimensional infrared spectra of gas-phase molecules with rotational resolution (RR2DIR). We describe how RR2DIR spectra can be controlled with…

光学 · 物理学 2024-01-23 Grzegorz Kowzan , Thomas K. Allison

Two dimensional spectroscopy is a powerful dynamical study method that has been developed in the last two decades. In 2D IR there are three experimental time periods during which the system vibrational modes of interest are excited, evolved…

化学物理 · 物理学 2021-04-12 S. Tahereh Alavi

Two-dimensional spectroscopic techniques combining terahertz (THz), infrared (IR), and visible pulses offer a wealth of information about coupling among vibrational modes in molecular liquids, thus providing a promising probe of their local…

化学物理 · 物理学 2023-04-21 Tomislav Begušić , Geoffrey A. Blake

The fast dynamics of molecular polaritonics is scrutinized theoretically through the implementation of two-dimensional spectroscopy protocols. We derive conceptually simple and computationally efficient formulas to calculate two-dimensional…

量子物理 · 物理学 2024-03-08 Daniela Gallego-Valencia , Lars Mewes , Johannes Feist , José Luis Sanz-Vicario

Nonlinear spectroscopy provides a unique perspective to understand time-resolved molecular dynamics under vibrational strong coupling (VSC). Herein, equilibrium-nonequilibrium cavity molecular dynamics simulations are performed to compute…

化学物理 · 物理学 2026-03-26 Xinwei Ji , Tomislav Begusic , Tao E. Li

Two-dimensional (2D) vibrational spectroscopy is a powerful means of investigating the structure and dynamics of complex molecules in condensed phases. However, even in theory, analysis of 2D spectra resulting from complex inter- and…

化学物理 · 物理学 2025-01-07 Ryotaro Hoshino , Yoshitaka Tanimura

Ultrafast two-dimensional spectroscopy utilizes correlated multiple light-matter interactions for retrieving dynamic features that may otherwise be hidden under the linear spectrum. Its extension to the terahertz regime of the…

Infrared (IR) spectroscopy, a type of vibrational spectroscopy, is widely used for molecular structure determination and provides critical structural information for chemists. However, existing approaches for recovering molecular structures…

机器学习 · 计算机科学 2026-03-09 Wenjin Wu , Aleš Leonardis , Linjiang Chen , Jianbo Jiao

In the present work, we give an analytical non-perturbative treatment of mode-mode coupling and anharmonicity occurring in molecular vibrational systems analyzed by 2D-infrared spectroscopy. This analytical description allows a detailed…

化学物理 · 物理学 2013-09-04 Kuo Kan Liang , Albert A. Villaeys

In the present work, we analyze the influence of the polarization effects taking place during the course of a 2DIR spectroscopy experiment performed on a molecular system undergoing an intermolecular vibrational energy transfer process.…

化学物理 · 物理学 2017-08-18 Albert A. Villaeys , Mabrouk Zouari , Kuo Kan Liang

In this thesis, wide-field 2D spectroscopy is employed in order to characterise the nebular properties of late-type field galaxies. The observations performed for this dissertation represent the first endeavour to obtain full 2D coverage of…

宇宙学与河外天体物理 · 物理学 2010-06-07 F. F. Rosales-Ortega

Vibrational spectroscopy is a cornerstone technique for molecular characterization and offers an ideal target for the computational investigation of molecular materials. Building on previous comprehensive assessments of efficient methods…

Femtosecond coherent multidimensional spectroscopy is demonstrated for an ultracold gas. For this, a setup for phase modulation spectroscopy is used to probe the $3^2\mathrm{S}_{1/2} - 2^2\mathrm{P}_{1/2, 3/2}$ transition in an 800…

原子物理 · 物理学 2023-01-16 Friedemann Landmesser , Tobias Sixt , Katrin Dulitz , Lukas Bruder , Frank Stienkemeier

Established x-ray diffraction methods allow for high-resolution structure determination of crystals, crystallized protein structures or even single molecules. While these techniques rely on coherent scattering, incoherent processes like…

We present a concise report on the '2DHybrid' method, an innovative extension of two-dimensional correlation spectroscopy (2D COS), tailored for quasar light curve analysis. Addressing the challenge of discerning periodic variations against…

天体物理仪器与方法 · 物理学 2024-04-30 Andjelka B. Kovacevic

Two-dimensional (2D) spectroscopy combines high temporal and spectral resolution, allowing the observation of ultrafast energy transfer and the separation of homogeneous and inhomogeneous broadening. Typically, 2D spectroscopy is dominated…

Accurate rovibrational molecular models are employed to gain insight in high-resolution into the collective effects and intermolecular processes arising when molecules in the gas phase are interacting with a resonant infrared (IR) radiation…

化学物理 · 物理学 2025-01-20 Tamás Szidarovszky

The time-dependent optical properties of molecular systems are investigated by step-scan Fourier-transform spectroscopy in order to explore the dynamics at phase transitions and molecular orientation in the milli- and microsecond range. The…

材料科学 · 物理学 2016-07-20 Tobias Peterseim , Martin Dressel

Ultra-fast and multi-dimensional spectroscopy gives a powerful looking glass into the dynamics of molecular systems. In particular two-dimensional electronic spectroscopy (2DES) provides a probe of coherence and the flow of energy within…

量子物理 · 物理学 2021-03-31 André Anda , Jared H. Cole

In the last years, Infrared Reflection-Absorption Spectroscopy (IRRAS) became a standard technique to study vibrational excitations of molecules. These investigations are strongly motivated by perspective applications in monitoring chemical…

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