chemicallytechFine Chemical TechnologiesТонкие химические технологии2410-65932686-7575MIREA – Russian Technological University (RTU MIREA).10.32362/2410-6593-2017-12-2-5-33chemicallytech-79Research ArticleCHEMISTRY AND TECHNOLOGY OF INORGANIC MATERIALSХИМИЯ И ТЕХНОЛОГИЯ НЕОРГАНИЧЕСКИХ МАТЕРИАЛОВSTRUCTURAL DYNAMICS OF FREE MOLECULES AND CONDENSED MATTER. Part I. THEORY AND EXPERIMENTAL TECHNIQUEСТРУКТУРНАЯ ДИНАМИКА СВОБОДНЫХ МОЛЕКУЛ И КОНДЕНСИРОВАННОГО СОСТОЯНИЯ ВЕЩЕСТВА. Часть I. ТЕОРИЯ И ЭКСПЕРИМЕНТАЛЬНЫЕ МЕТОДЫИщенкоА. А.IschenkoA. A.

доктор химических наук, профессор, заведующий кафедрой аналитической химии им. И.П. Алимарина

119571, Россия, Москва, пр-т Вернадского, д. 86

Moscow, 119571 Russia

aischenko@yasenevo.ruТарасовЮ. И.TarasovY. I.

доктор физико-математических наук, профессор, заведующий кафедрой физики и технической механики

119571, Россия, Москва, пр-т Вернадского, д. 86

Moscow, 119571 Russia

noemail@neicon.ruШеферЛ.SchäferL.

профессор, Факультет химии и биохимии,

Фэйтвилл, 72701, Арканзас, США

Fayetteville, AR, U.S.A., AR72701

noemail@neicon.ruМосковский технологический университет (Институт тонких химических технологий)РоссияMoscow Technological University (Institute of Fine Chemical Technologies)Russian FederationУниверситет штата АрканзасСоединённые Штаты АмерикиUniversity of ArkansasUnited States201728042017122533Copyright © Ischenko A.A., Tarasov Y.I., Schäfer L., 20172017Ищенко А.А., Тарасов Ю.И., Шефер Л.Ischenko A.A., Tarasov Y.I., Schäfer L.Данная работа распространяется под лицензией Creative Commons Attribution 4.0.This work is licensed under a Creative Commons Attribution 4.0 License.https://www.finechem-mirea.ru/jour/article/view/79

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.

Для понимания особенностей динамики молекулярных систем со сложным ландшафтом поверхности потенциальной энергии, необходимо исследовать их в четырехмерном пространственно-временном континууме. Введение времени в дифракционные методы и развитие когерентных принципов процесса исследования открывают новые подходы к изучению динамики волновых пакетов, промежуточных и переходных состояний химических реакций, короткоживущих соединений в газовой и конденсированной средах. Дифракция электронов с временным разрешением, новый метод структурных динамических исследований свободных молекул, кластеров и конденсированных сред, отличается от традиционного метода дифракции электронов как по экспериментальному оборудованию, так и теоретическими подходами, используемыми при интерпретации дифракционных данных. В методах с временным разрешением особенно выражена необходимость соответствующей теоретической основы для обработки данных дифракции электронов и результатов спектральных исследований когерентной динамики с использованием интенсивного ультракороткого лазерного излучения. Такой единый и комплексный подход можно сформулировать, используя понятие адиабатической поверхности потенциальной энергии основного и возбужденных состояний исследуемых систем. Сочетание самых современных оптических технологий и методов дифракции электронов, основанных на различных физических явлениях, дополняющих друг друга, открывает новые возможности структурных исследований с использованием импульсных последовательностей ультракороткой длительности. Такое сочетание обеспечивает необходимую интеграцию триады «структура - динамика - свойство» в химии, биологии и материаловедении.

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The authors declare that there are no conflicts of interest present.