STRUCTURAL DYNAMICS OF FREE MOLECULES AND CONDENSED MATTER. Part I. THEORY AND EXPERIMENTAL TECHNIQUE

To understand the dynamic features of molecular systems with a complex landscape of potential energy surfaces, it is necessary to study them in the associated 4D space-time continuum. The introduction of time in the diffraction methods and the development of coherent principles of the research proce...

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Main Authors: A. A. Ischenko, Y. I. Tarasov, L. Schäfer
Format: Article
Language:Russian
Published: MIREA - Russian Technological University 2017-04-01
Series:Тонкие химические технологии
Subjects:
Online Access:https://www.finechem-mirea.ru/jour/article/view/79
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author A. A. Ischenko
Y. I. Tarasov
L. Schäfer
author_facet A. A. Ischenko
Y. I. Tarasov
L. Schäfer
author_sort A. A. Ischenko
collection DOAJ
description To understand the dynamic features of molecular systems with a complex landscape of potential energy surfaces, it is necessary to study them in the associated 4D space-time continuum. The introduction of time in the diffraction methods and the development of coherent principles of the research process opened up new approaches for the study of the dynamics of wave packets, intermediates and transient states of the chemical reactions, short-lived compounds in the gaseous and condensed media. Time-resolved electron diffraction, the new method for the structural dynamic studies of free molecules, clusters and condensed matter, differs from the traditional method of electron diffraction both in the experimental part and in the theoretical approaches used in the interpretation of diffraction data. Here there is particularly pronounced the need of a corresponding theoretical basis for the processing of the electron diffraction data and the results of spectral investigations of the coherent dynamics in the field of intense ultrashort laser radiation. Such unified and integrated approach can be formulated using the adiabatic potential energy surfaces of the ground and excited states of the systems under study. The combination of state-of-the-art optical techniques and electron diffraction methods based on different physical phenomena, but complementing each other, opens up new possibilities of the structural studies at time sequences of ultrashort duration. It provides the required integration of the triad, "structure - dynamics - functions" in chemistry, biology and materials science.
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spelling doaj.art-61dfdbd2dbe54466a5c276a4ce6ddd3d2025-03-02T10:57:34ZrusMIREA - Russian Technological UniversityТонкие химические технологии2410-65932686-75752017-04-0112253310.32362/2410-6593-2017-12-2-5-3379STRUCTURAL DYNAMICS OF FREE MOLECULES AND CONDENSED MATTER. Part I. THEORY AND EXPERIMENTAL TECHNIQUEA. A. Ischenko0Y. I. Tarasov1L. Schäfer2Moscow Technological University (Institute of Fine Chemical Technologies)Moscow Technological University (Institute of Fine Chemical Technologies)University of ArkansasTo understand the dynamic features of molecular systems with a complex landscape of potential energy surfaces, it is necessary to study them in the associated 4D space-time continuum. The introduction of time in the diffraction methods and the development of coherent principles of the research process opened up new approaches for the study of the dynamics of wave packets, intermediates and transient states of the chemical reactions, short-lived compounds in the gaseous and condensed media. Time-resolved electron diffraction, the new method for the structural dynamic studies of free molecules, clusters and condensed matter, differs from the traditional method of electron diffraction both in the experimental part and in the theoretical approaches used in the interpretation of diffraction data. Here there is particularly pronounced the need of a corresponding theoretical basis for the processing of the electron diffraction data and the results of spectral investigations of the coherent dynamics in the field of intense ultrashort laser radiation. Such unified and integrated approach can be formulated using the adiabatic potential energy surfaces of the ground and excited states of the systems under study. The combination of state-of-the-art optical techniques and electron diffraction methods based on different physical phenomena, but complementing each other, opens up new possibilities of the structural studies at time sequences of ultrashort duration. It provides the required integration of the triad, "structure - dynamics - functions" in chemistry, biology and materials science.https://www.finechem-mirea.ru/jour/article/view/79structural dynamicstransient structurestransition state for chemical reactionmolecular quantum state tomographytime-resolved electron diffractionwave packetscoherent nuclear dynamics
spellingShingle A. A. Ischenko
Y. I. Tarasov
L. Schäfer
STRUCTURAL DYNAMICS OF FREE MOLECULES AND CONDENSED MATTER. Part I. THEORY AND EXPERIMENTAL TECHNIQUE
Тонкие химические технологии
structural dynamics
transient structures
transition state for chemical reaction
molecular quantum state tomography
time-resolved electron diffraction
wave packets
coherent nuclear dynamics
title STRUCTURAL DYNAMICS OF FREE MOLECULES AND CONDENSED MATTER. Part I. THEORY AND EXPERIMENTAL TECHNIQUE
title_full STRUCTURAL DYNAMICS OF FREE MOLECULES AND CONDENSED MATTER. Part I. THEORY AND EXPERIMENTAL TECHNIQUE
title_fullStr STRUCTURAL DYNAMICS OF FREE MOLECULES AND CONDENSED MATTER. Part I. THEORY AND EXPERIMENTAL TECHNIQUE
title_full_unstemmed STRUCTURAL DYNAMICS OF FREE MOLECULES AND CONDENSED MATTER. Part I. THEORY AND EXPERIMENTAL TECHNIQUE
title_short STRUCTURAL DYNAMICS OF FREE MOLECULES AND CONDENSED MATTER. Part I. THEORY AND EXPERIMENTAL TECHNIQUE
title_sort structural dynamics of free molecules and condensed matter part i theory and experimental technique
topic structural dynamics
transient structures
transition state for chemical reaction
molecular quantum state tomography
time-resolved electron diffraction
wave packets
coherent nuclear dynamics
url https://www.finechem-mirea.ru/jour/article/view/79
work_keys_str_mv AT aaischenko structuraldynamicsoffreemoleculesandcondensedmatterpartitheoryandexperimentaltechnique
AT yitarasov structuraldynamicsoffreemoleculesandcondensedmatterpartitheoryandexperimentaltechnique
AT lschafer structuraldynamicsoffreemoleculesandcondensedmatterpartitheoryandexperimentaltechnique