Spectroscopic and Computational Studies of the Effects of Intermolecular Interactions and Vibrational Energy Transfer on the Optical Response of Large Chromophores in Solution PDF Download
Are you looking for read ebook online? Search for your book and save it on your Kindle device, PC, phones or tablets. Download Spectroscopic and Computational Studies of the Effects of Intermolecular Interactions and Vibrational Energy Transfer on the Optical Response of Large Chromophores in Solution PDF full book. Access full book title Spectroscopic and Computational Studies of the Effects of Intermolecular Interactions and Vibrational Energy Transfer on the Optical Response of Large Chromophores in Solution by Patty K. McCarthy. Download full books in PDF and EPUB format.
Author: Patty K. McCarthy
Publisher:
ISBN:
Category : Energy transfer
Languages : en
Pages : 402
Get Book Here
Book Description
Author: Patty K. McCarthy
Publisher:
ISBN:
Category : Energy transfer
Languages : en
Pages : 402
Get Book Here
Book Description
Author:
Publisher:
ISBN:
Category : Dissertations, Academic
Languages : en
Pages : 902
Get Book Here
Book Description
Author: Hai-Lung Dai
Publisher: World Scientific
ISBN: 9789810217495
Category : Science
Languages : en
Pages : 1154
Get Book Here
Book Description
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.
Author: Du?an Papou?ek
Publisher: World Scientific
ISBN: 9789810216351
Category : Science
Languages : en
Pages : 578
Get Book Here
Book Description
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.
Author: Alexander Paarmann
Publisher:
ISBN: 9780494676752
Category :
Languages : en
Pages : 434
Get Book Here
Book Description
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.
Author:
Publisher:
ISBN:
Category : Aeronautics
Languages : en
Pages : 704
Get Book Here
Book Description
Author: S. H. Lin
Publisher: World Scientific
ISBN: 9789810238292
Category : Science
Languages : en
Pages : 316
Get Book Here
Book Description
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.
Author: Jörg Grunenberg
Publisher: John Wiley & Sons
ISBN: 3527643621
Category : Science
Languages : en
Pages : 421
Get Book Here
Book Description
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.
Author: Minhaeng Cho
Publisher: CRC Press
ISBN: 1420084305
Category : Medical
Languages : en
Pages : 396
Get Book Here
Book Description
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
Author: Andrea Giordano
Publisher:
ISBN:
Category :
Languages : en
Pages :
Get Book Here
Book Description
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.
