New materials are fundamental for modern industry. Novel materials are often composed with complex compositions and interfaces. Therefore, understanding the structure and dynamics of these new materials is important. In this thesis, we apply advanced spectroscopy, such as pump-probe spectroscopy, two-dimensional infrared (2D IR) spectroscopy and transient vibrational sum frequency generation spectroscopy (VSFG) to study the structure and dynamic information of some novel materials. In chapter 1, we performed 2DIR spectroscopy to understand the structure of new chemical compound. We report a chromium complex mediator, Cr(CO)3([eta]6-naphthalene), that mediates the traditional thermal dienyne cyclization at ambient temperature. Successful cycloaromatizations were observed to proceed to moderate yield in coordination. We investigate mechanism and kinetic of this novel reaction by Fourier-transform infrared spectroscopy (FT-IR). Static 2D IR spectroscopy was performed to analysis the intermediate. After studying the structure information of new chemical compound, we noticed that dynamic process can help us understand the system parameters changing over time. In chapter 2, we performed a pump-probe spectroscopy to understand the cation rotation in a strain induced a-formamidinium lead iodide (a-FAPbI3) system. We apply strain engineering to tetragonal FAPbI3 using both theoretical simulations and experimental techniques. Ferroelectricity is then observed and proved on the strained a-FAPbI3 thin film. By thermally stimulated depolarization current (TSDC) measurement, the polarization of the epitaxial strain a-FAPbI3 thin film is demonstrated. Through pump-probe spectroscopy measurement and X-ray Photoelectron Spectroscopy (XPS) measurement, we demonstrate that the ferroelectricity generated in the strained a-FAPbI3 owes to the inorganic framework atom displacement generated from the lead-iodide bonds with neglectable influence of freely-rotational FA+ molecules under room temperature. After study the dynamic of novel material, we found out that molecule conformation at interface greatly influence the performance of materials. Therefore, in chapter 3, we develop a surface/interface sensitive technique called time-resolved electric-field-induced sum-frequency generation (Tr EFI SFG) and develop time-resolved electric-field-induced heterodyne sum frequency (Tr EFI-HD SFG) spectroscopy to follow the charge transfer process at interfaces. Currently, we study the interface which composed of acceptor polymer (BBL) and donor polymer (P3HT). We plan to extract the implicit molecular dynamics by transient HD VSFG. Currently, we are trying to confirm that the direct charge transfer mechanism and strong acceptor-donor interactions can form at the interface. Second, we will try to resolve molecule specific dynamics by performing phase rotation and data retrieval methods on time-dependent HD SFG spectra.

The recent improvements in the techniques for producing very short duration pulses of laser light have allowed chemists to study processes taking place on similarly short timescales, now typically in the range of 10 to 10 seconds. This book describes methods for generating and characterising picosecond pulses, and then provides a discussion of current experimental techniques for the study of ultrafast chemical processes. The applications to specific chemical problems are divided into chapters on the vapour, liquid, and solid phases.

The goal of this book is to provide a simple and conceptually intuitive introduction to nonlinear spectroscopy via the formalism of quantum processes and wavepacket dynamics.

SPECTROSCOPY FOR MATERIALS CHARACTERIZATION Learn foundational and advanced spectroscopy techniques from leading researchers in physics, chemistry, surface science, and nanoscience In Spectroscopy for Materials Characterization, accomplished researcher Simonpietro Agnello delivers a practical and accessible compilation of various spectroscopy techniques taught and used to today. The book offers a wide-ranging approach taught by leading researchers working in physics, chemistry, surface science, and nanoscience. It is ideal for both new students and advanced researchers studying and working with spectroscopy. Topics such as confocal and two photon spectroscopy, as well as infrared absorption and Raman and micro-Raman spectroscopy, are discussed, as are thermally stimulated luminescence and spectroscopic studies of radiation effects on optical materials. Each chapter includes a basic introduction to the theory necessary to understand a specific technique, details about the characteristic instrumental features and apparatuses used, including tips for the appropriate arrangement of a typical experiment, and a reproducible case study that shows the discussed techniques used in a real laboratory. Readers will benefit from the inclusion of: Complete and practical case studies at the conclusion of each chapter to highlight the concepts and techniques discussed in the material Citations of additional resources ideal for further study A thorough introduction to the basic aspects of radiation matter interaction in the visible-ultraviolet range and the fundamentals of absorption and emission A rigorous exploration of time resolved spectroscopy at the nanosecond and femtosecond intervals Perfect for Master and Ph.D. students and researchers in physics, chemistry, engineering, and biology, Spectroscopy for Materials Characterization will also earn a place in the libraries of materials science researchers and students seeking a one-stop reference to basic and advanced spectroscopy techniques.

The advent of laser-based sources of ultrafast infrared pulses has extended the study of very fast molecular dynamics to the observation of processes manifested through their effects on the vibrations of molecules. In addition, non-linear infrared spectroscopic techniques make it possible to examine intra- and intermolecular interactions and how such interactions evolve on very fast time scales, but also in some instances on very slow time scales. Ultrafast Infrared Vibrational Spectroscopy is an advanced overview of the field of ultrafast infrared vibrational spectroscopy based on the scientific research of the leading figures in the field. The book discusses experimental and theoretical topics reflecting the latest accomplishments and understanding of ultrafast infrared vibrational spectroscopy. Each chapter provides background, details of methods, and explication of a topic of current research interest. Experimental and theoretical studies cover topics as diverse as the dynamics of water and the dynamics and structure of biological molecules. Methods covered include vibrational echo chemical exchange spectroscopy, IR-Raman spectroscopy, time resolved sum frequency generation, and 2D IR spectroscopy. Edited by a recognized leader in the field and with contributions from top researchers, including experimentalists and theoreticians, this book presents the latest research methods and results. It will serve as an excellent resource for those new to the field, experts in the field, and individuals who want to gain an understanding of particular methods and research topics.

The embryonic development of femtoscience stems from advances made in the generation of ultrashort laser pulses. Beginning with mode-locking of glass lasers in the 1960s, the development of dye lasers brought the pulse width down from picoseconds to femtoseconds. The breakthrough in solid state laser pulse generation provided the current reliable table-top laser systems capable of average power of about 1 watt, and peak power density of easily watts per square centimeter, with pulse widths in the range of four to eight femtoseconds. Pulses with peak power density reaching watts per square centimeter have been achieved in laboratory settings and, more recently, pulses of sub-femtosecond duration have been successfully generated. As concepts and methodologies have evolved over the past two decades, the realm of ultrafast science has become vast and exciting and has impacted many areas of chemistry, biology and physics, and other fields such as materials science, electrical engineering, and optical communication. In molecular science the explosive growth of this research is for fundamental reasons. In femtochemistry and femtobiology chemical bonds form and break on the femtosecond time scale, and on this scale of time we can freeze the transition states at configurations never before seen. Even for n- reactive physical changes one is observing the most elementary of molecular processes. On a time scale shorter than the vibrational and rotational periods the ensemble behaves coherently as a single-molecule trajectory.

Computational Studies of New Materials was published by World Scientific in 1999 and edited by Daniel Jelski and Thomas F George. Much has happened during the past decade. Advances have been made on the same materials discussed in the 1999 book, including fullerenes, polymers and nonlinear optical processes in materials, which are presented in this 2010 book. In addition, different materials and topics are comprehensively covered, including nanomedicine, hydrogen storage materials, ultrafast laser processes, magnetization and light-emitting diodes.