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: Steen Brøndsted Nielsen
Publisher: Springer Science & Business Media
ISBN: 3642401902
Category : Science
Languages : en
Pages : 238
Get Book Here
Book Description
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.
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
