Download or read book Spectroscopic and Computational Studies of the Effects of Intermolecular Interactions and Vibrational Energy Transfer on the Optical Response of Large Chromophores in Solution written by Patty K. McCarthy and published by . This book was released on 1996 with total page 402 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Dissertation Abstracts International written by and published by . This book was released on 2007 with total page 902 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Molecular Dynamics and Spectroscopy by Stimulated Emission Pumping written by Hai-Lung Dai and published by World Scientific. This book was released on 1995 with total page 1154 pages. Available in PDF, EPUB and Kindle. Book excerpt: Since the first stimulated emission pumping (SEP) experiments more than a decade ago, this technique has proven powerful for studying vibrationally excited molecules. SEP is now widely used by increasing numbers of research groups to investigate fundamental problems in spectroscopy, intramolecular dynamics, intermolecular interactions, and even reactions. SEP provides rotationally pre-selected spectra of vibrationally highly excited molecules undergoing large amplitude motions. A unique feature of SEP is the ability to access systematically a wide variety of extreme excitations localized in various parts of a molecule, and to prepare populations in specific, high vibrational levels. SEP has made it possible to ask and answer specific questions about intramolecular vibrational redistribution and the role of vibrational excitation in chemical reactions.
Download or read book Vibration rotational Spectroscopy and Molecular Dynamics written by Du?an Papou?ek and published by World Scientific. This book was released on 1997 with total page 578 pages. Available in PDF, EPUB and Kindle. Book excerpt: The book reviews the results of vibration-rotational spectroscopy of molecules obtained recently by combining modern computational methods of quantum chemistry with the new techniques of high-resolution rotational and vibration-rotational spectroscopy. It shows for example that the tunneling vibration-rotational spectroscopy of the van der Waals complexes provides a new look at intermolecular forces while the high precision and sensitivity of the submillimeter-wave and Fourier transform microwave spectroscopy make it possible to study complex rotational spectra of molecules in excited vibrational states. New results of high level ab initio quantum chemical computations of vibrational and rotational energy levels and dipole moment functions of unusual molecules will be discussed together with the recent discovery of clustering of energy levels in asymmetric tops. Group theoretical analysis of floppy molecules, especially the tunneling effects in nonrigid molecules, will also be discussed.
Download or read book Computational Spectroscopy written by Jörg Grunenberg and published by John Wiley & Sons. This book was released on 2011-08-24 with total page 421 pages. Available in PDF, EPUB and Kindle. Book excerpt: Unique in its comprehensive coverage of not only theoretical methods but also applications in computational spectroscopy, this ready reference and handbook compiles the developments made over the last few years, from single molecule studies to the simulation of clusters and the solid state, from organic molecules to complex inorganic systems and from basic research to commercial applications in the area of environment relevance. In so doing, it covers a multitude of apparatus-driven technologies, starting with the common and traditional spectroscopic methods, more recent developments (THz), as well as rather unusual methodologies and systems, such as the prediction of parity violation, rare gas HI complexes or theoretical spectroscopy of the transition state. With its summarized results of so many different disciplines, this timely book will be of interest to newcomers to this hot topic while equally informing experts about developments in neighboring fields.
Download or read book Coherent Two Dimensional Infrared Spectroscopy of Vibrational Excitons in Hydrogen Bonded Liquids written by Alexander Paarmann and published by . This book was released on 2010 with total page 434 pages. Available in PDF, EPUB and Kindle. Book excerpt: The structure and structural dynamics of hydrogen bonded liquids were studied experimentally and theoretically with coherent two-dimensional infrared (2DIR) spectroscopy. The resonant intermolecular interactions within the fully resonant hydrogen bond networks give access to spatial correlations in the dynamics of the liquid structures. New experimental and theoretical tools were developed that significantly reduced the technical challenges of these studies. A nanofluidic flow device was designed and manufactured providing sub-micron thin, actively stabilized liquid sample layers between similarly thin windows. A simulation protocol for nonlinear vibrational response calculations of disordered fluctuating vibrational excitons was developed that allowed for the first treatment of resonant intermolecular interactions in the 2DIR response of liquid water.The 2DIR spectrum of the O-H stretching vibration of pure liquid water was studied experimentally at different temperatures. At ambient conditions the loss of frequency correlations is extremely fast, and is attributed to very efficient modulations of the two-dimensional O-H stretching vibrational potential through librational motions in the hydrogen bond network. At temperatures near freezing, the librational motions are significantly reduced leading to a pronounced slowing down of spectral diffusion dynamics. Comparison with energy transfer time scales revealed the first direct proof of delocalization of the vibrational excitations. This work establishes a fundamentally new view of vibrations in liquid water by providing a spatial length scale of correlated hydrogen-bond motions.The linear and 2DIR response of the amide I mode in neat liquid formamide was found to be dominated by excitonic effects due to largely delocalized vibrational excitations. The spectral response and dynamics are very sensitive to the excitonic mode structure and infrared activity distributions, leading to a pronounced asymmetry of linear and 2DIR line shapes. This was attributed to structurally different species in the liquid characterized by their degree of medium range structural order. The response is dominated by energy transfer effects, sensitive to time-averaged medium range structural order, while being essentially insensitive to structural dynamics. This work is the first to recognize the importance of energy transfer contributions to the 2DIR response in a liquid, and provides additional proof of the well-structured character of liquid formamide.
Download or read book Scientific and Technical Aerospace Reports written by and published by . This book was released on 1995 with total page 704 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Advances in Multiphoton Processes and Spectroscopy written by S. H. Lin and published by World Scientific. This book was released on 1999 with total page 316 pages. Available in PDF, EPUB and Kindle. Book excerpt: In view of the rapid growth in both experimental and theoretical studies of multi-photon processes and multi-photon spectroscopy of atoms, ions and molecules in chemistry, physics, biology, materials science, etc., it is desirable to publish an advanced series containing review papers that can be read not only by active researchers in these areas, but also by those who are not experts but who intend to enter the field. The present series attempts to serve this purpose. Each review article is written in a self-contained manner by the experts in the area, so that the reader can grasp the knowledge without too much preparation.
Download or read book Vibrational Optical Activity written by Laurence A. Nafie and published by John Wiley & Sons. This book was released on 2011-07-12 with total page 373 pages. Available in PDF, EPUB and Kindle. Book excerpt: This unique book stands as the only comprehensive introduction to vibrational optical activity (VOA) and is the first single book that serves as a complete reference for this relatively new, but increasingly important area of molecular spectroscopy. Key features: A single-source reference on this topic that introduces, describes the background and foundation of this area of spectroscopy. Serves as a guide on how to use it to carry out applications with relevant problem solving. Depth and breadth of the subject is presented in a logical, complete and progressive fashion. Although intended as an introductory text, this book provides in depth coverage of this topic relevant to both students and professionals by taking the reader from basic theory through to practical and instrumental approaches.
Download or read book Using Steady state Vibrational Spectroscopy to Characterize the Effect that Molecular Environments Have on the Kinetics of Chemical Systems written by Andrea Giordano and published by . This book was released on 2014 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt: A goal that unifies all chemists is the desire to understand the intermolecular and intramolecular interactions that occur in a given system. For many chemical systems, we have an understanding of the intramolecular interactions that occur within a molecule, and how these interactions dictate the physical properties of the molecule, such as the dipole moment, color, or the dielectric constant. The intermolecular interactions that occur between molecules and their molecular environment have proven to be more difficult to isolate, due to multiple interactions occurring simultaneously. It is important to understand these interactions between molecules and their molecular environment because such interactions affect nearly every practical chemical system, from biological to industrial applications. Therefore, it is of the upmost importance to understand how the intermolecular interactions can manifest throughout chemical systems. We are interested in separating the multiple contributions to the intermolecular interactions that arise from the molecular environment. To achieve this goal, I developed theoretical and experimental frameworks for determining kinetic parameters of chemical systems using steady-state vibrational spectroscopy, a tool that has proven very powerful for determining the effects of both intramolecular and intermolecular interactions, therefore, we have chosen to focus on using vibrational spectroscopy in my dissertation. I first demonstrate the equivalency between the kinetic information extracted from IR and Raman spectroscopies by obtaining identical activation energies for the ligand site exchange of Fe(CO)3([eta]4-norbornadiene) (FeNBD). These experiments rely upon the extraction of kinetic information from steady-state band shapes and demonstrated that either vibrational spectroscopic technique can be used to extract kinetic information from the band shapes of steady-state spectra. In order to do this, I worked with collaborators to extend the theoretical framework for extracting the rate constant from the band shapes of vibrational spectra to include Raman spectroscopy. The next step towards the goal of separating the multiple contributions to the intermolecular interactions is to categorize these contributions as static effects and dynamic effects. For the purpose of this work, I define static effects as those that arise from solute-solvent interactions that cause changes in the band shape, while dynamic effects are those that arise from changes in the dynamics of a system as a result of interaction with the molecular environment. I establish a way to separate static effects from dynamic effects by analyzing the solvent effects of Fe(CO)3([eta]4-cyclooctatetraene) using solvent-dependent IR spectroscopy. The dynamic effects induced by the solvent environment were analyzed through temperature-dependent Raman experiments of FeNBD in a series of linear alkane solvents. The last part of this dissertation further focused on the consequences of static effects, examining the morphology of conducting polymer films used in thin film devices. We used Raman spectroscopy to characterize the crystallinity of conducting polymer films with and without dopant materials. From this data, we constructed structure-function relationships by correlating the morphology of the polymer film to the overall device performance that will aid in the rational design of materials used in thin film devices. This part of my dissertation was done in collaboration with Prof. Elizabeth von Hauff at The University of Freiburg in Germany. Future experiments will explore the effects confining environments will have on the dynamics of FeNBD. Initial experiments to encapsulated FeNBD into a porous polymer matrix were successful, but there are many potential experiments along this line of reasoning that could be explored, and are discussed in the final chapter of this dissertation. In its entirety, this dissertation will provide the scientific community with a novel approach that combines the ability to measure ground state kinetics using steady-state vibrational spectroscopy with a theoretical framework to analyze the effects the molecular environment induces on the ground state kinetics in chemical systems.
Download or read book Two Dimensional Optical Spectroscopy written by Minhaeng Cho and published by CRC Press. This book was released on 2009-06-16 with total page 396 pages. Available in PDF, EPUB and Kindle. Book excerpt: Two-Dimensional Optical Spectroscopy discusses the principles and applications of newly emerging two-dimensional vibrational and optical spectroscopy techniques. It provides a detailed account of basic theory required for an understanding of two-dimensional vibrational and electronic spectroscopy. It also bridges the gap between the formal developm
Download or read book Chromophore Rotational Dynamics as a Probe of Local Organization in Bulk and Interfacial Systems written by Hannah Mize and published by . This book was released on 2017 with total page 70 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Photophysics of Ionic Biochromophores written by Steen Brøndsted Nielsen and published by Springer. This book was released on 2013-11-27 with total page 230 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book provides a concise overview of the photophysics and spectroscopy of bio chromophore ions. The book "Photophysics of Ionic Biochromophores" summarizes important recent advances in the spectroscopy of isolated biomolecular ions in vacuo, which has within the last decade become a highly active research field. Advanced instrumental apparatus and the steady increase in more and more powerful computers have made this development possible, both for experimentalists and theoreticians. Applied techniques described here include absorption and fluorescence spectroscopy, which are excellent indicators of environmental effects and can thus shed light on the intrinsic electronic structures of ions without perturbations from e.g. water molecules, counter ions, nearby charges, and polar amino acid residues. When compared with spectra of the chromophores in their natural environment, such spectra allow to identify possible perturbations. At the same time gas-phase spectra provide important benchmarks for quantum chemistry calculations of electronically excited states. This volume focuses on biological systems from protein biochromophores, e.g. the protonated Schiff-base retinal responsible for vision, and individual aromatic amino acids to peptides and whole proteins, studied using visible, ultraviolet and vacuum ultraviolet light. Work on DNA nucleotides and strands that are amenable to mass spectrometric studies because of the negatively charged sugarphosphate backbone are also presented. DNA strands represent an example of the interplay between multiple chromophores, which is even harder to model correctly than just single chromophores due to spatially extended excited states and weak coupling terms. The experimental techniques used to measure spectra and commonly used theoretical methods are described with a discussion on limitations and advantages. The volume includes an updated status of the field and interesting future directions such as cold ion spectroscopy.
Download or read book Coherent Vibrational Dynamics written by Guglielmo Lanzani and published by CRC Press. This book was released on 2007-11-29 with total page 288 pages. Available in PDF, EPUB and Kindle. Book excerpt: Remarkable developments in the spectroscopy field regarding ultrashort pulse generation have led to the possibility of producing light pulses ranging from 50 to5 fs and frequency tunable from the near infrared to the ultraviolet range. Such pulses enable us to follow the coupling of vibrational motion to the electronic transitions in molecules and solids in real time. Detailing these advanced developments, as well as the fundamental methods and tools of vibrational spectroscopy, Coherent Vibrational Dynamics providesresearchers and students with a uniquely comprehensive resource. With the contributions of pioneering scientists, this seminal volume – · Outlines the principles and tools used on time-domain vibrational spectroscopy and provides a general introduction to the subject of coherent phonons · Describes the modern methods for tunable ultrashort pulse generation from infrared to visible-UV · Reviews coherent vibrational dynamics in small molecules in liquids (hydrogen bonds), and in carbon based conjugated materials (polyenes, carotenoids, and semiconducting polymers) · Explores phonon dynamics in semiconductors (bulk and heterostructures) and in quasi-one-dimensional systems Supplemented with a great number of references, and covering fundamental as well advanced topics, this text provides a valuable reference for both graduate students and senior researchers investigating materials in physics, chemistry, and biology. It is also an excellent starting point for those who want to pursue research in the field of ultrafast optics and spectroscopy.
Download or read book Light Harvesting in Photosynthesis written by Roberta Croce and published by CRC Press. This book was released on 2018-01-12 with total page 793 pages. Available in PDF, EPUB and Kindle. Book excerpt: This landmark collective work introduces the physical, chemical, and biological principles underlying photosynthesis: light absorption, excitation energy transfer, and charge separation. It begins with an introduction to properties of various pigments, and the pigment proteins in plant, algae, and bacterial systems. It addresses the underlying physics of light harvesting and key spectroscopic methods, including data analysis. It discusses assembly of the natural system, its energy transfer properties, and regulatory mechanisms. It also addresses light-harvesting in artificial systems and the impact of photosynthesis on our environment. The chapter authors are amongst the field’s world recognized experts. Chapters are divided into five main parts, the first focused on pigments, their properties and biosynthesis, and the second section looking at photosynthetic proteins, including light harvesting in higher plants, algae, cyanobacteria, and green bacteria. The third part turns to energy transfer and electron transport, discussing modeling approaches, quantum aspects, photoinduced electron transfer, and redox potential modulation, followed by a section on experimental spectroscopy in light harvesting research. The concluding final section includes chapters on artificial photosynthesis, with topics such as use of cyanobacteria and algae for sustainable energy production. Robert Croce is Head of the Biophysics Group and full professor in biophysics of photosynthesis/energy at Vrije Universiteit, Amsterdam. Rienk van Grondelle is full professor at Vrije Universiteit, Amsterdam. Herbert van Amerongen is full professor of biophysics in the Department of Agrotechnology and Food Sciences at Wageningen University, where he is also director of the MicroSpectroscopy Research Facility. Ivo van Stokkum is associate professor in the Department of Physics and Astronomy, Faculty of Sciences, at Vrije Universiteit, Amsterdam.
Download or read book Vibrational Spectroscopy on Intermolecular Interactions in Solutions and at Interfaces written by Johannes Wilhelmus Maria Nissink and published by . This book was released on 1999 with total page 134 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Determination of First Hyperpolarizability of Nonlinear Optical Chromophores by Second Harmonic Scattering Using an External Reference written by and published by . This book was released on 1996 with total page 31 pages. Available in PDF, EPUB and Kindle. Book excerpt: First hyperpolarizabilities (beta) of two tricyanothiophene chromophores were determined using second harmonic, hyper-Rayleigh, scattering. The use of an external standard in the determinations is compared with the previous use of an internal standard. A new method of analyzing the hyper-Rayleigh scattering signal by recording a histogram of the scattered energy is reported. This method is shown to give more reliable results in a shorter period of time than the usual static gate method. The histogram function provides additional information in the form of the histogram width which is shown to be an indication of the mean square concentration fluctuations of the chromophores in solution. The effects of molecular interactions on the concentration dependence of the hyper-Rayleigh scattering signal is discussed. It is shown that depending on the concentration range, the beta value of para-nitroaniline, used as the external standard, can agree with two different values reported in the literature. Results on the depolarization ratio of the hyper-Rayleigh scattered light from one of the tricyanovinylthiophene chromophores are presented. At low concentration, the depolarization ratio agrees with the theoretically predicted value based on C sub 2 nu symmetry. However, at higher concentration the measured depolarization ratio increases indicating intermolecular interactions.
