The Electronic Spectroscopy, Photophysics and Dissociation Dynamics of Small Van Der Waals Clusters in a Molecular Beam
Author: Joseph Charles Alfano
Publisher:
Published: 1991
Total Pages: 546
ISBN-13:
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Author: Joseph Charles Alfano
Publisher:
Published: 1991
Total Pages: 546
ISBN-13:
DOWNLOAD EBOOKAuthor: Jonelle Harvey
Publisher: Springer Science & Business Media
Published: 2013-11-09
Total Pages: 184
ISBN-13: 3319029762
DOWNLOAD EBOOKJonelle Harvey's book outlines two related experimental techniques, threshold photoelectron spectroscopy and threshold photoelectron photoion coincidence techniques, which are utilised to investigate small halogenated molecules. All the experiments were conducted at the vacuum ultraviolet beamline of the Swiss Light Source, a synchrotron photon source, which has the advantage over popular laser photon-sources of extreme ease of tunability. Three studies are presented which combine experimental and computational ab initio approaches: studying the fast dissociations of halogenated methanes in order to construct a self-consistent thermochemical network; investigating the fragmentations of fluoroethenes from timebombs, which break apart very slowly but explosively, to fast dissociators; and uncovering how vital conical interactions underpin both the results of photoelectron spectra and dissociation patterns. The details included in this thesis are useful for researchers working in the same field and those readers wishing to obtain a solid introduction into the types of systems encountered in threshold photoelectron photoion coincidence spectroscopy.
Author:
Publisher:
Published: 2000
Total Pages: 816
ISBN-13:
DOWNLOAD EBOOKAuthor: Yongwei Zhang
Publisher:
Published: 2012
Total Pages: 145
ISBN-13: 9789461913593
DOWNLOAD EBOOKAuthor: American Chemical Society. Committee on Professional Training
Publisher:
Published: 1993
Total Pages: 1700
ISBN-13: 9780841227231
DOWNLOAD EBOOKAuthor:
Publisher:
Published: 1994
Total Pages: 892
ISBN-13:
DOWNLOAD EBOOKAuthor: Jordan Aleksander Ramilowski
Publisher:
Published: 2010
Total Pages:
ISBN-13:
DOWNLOAD EBOOKThe marriage of two very powerful techniques - cryogenic matrix isolation spectroscopy and seeded supersonic molecular beams - has led to the development of a novel type of cryogenic matrix isolation spectroscopy in ultra-cold, near 0 K, He droplets. The technique known as helium nanodroplet isolation (HENDI) has seen tremendeous experimental interest over the past 20 years; this in turn has resulted in the availability of spectroscopic data for many molecules and clusters embedded in He clusters. The experimental findings have motivated a large number of theoretical calculations. This dissertation focuses on theoretical and computational studies of the rotational dynamics of weakly bound van der Waals clusters with its main theme being the dynamics of molecules and small molecular dimers embedded in superfluid He-4 nanodroplets. The single molecular dopant systems studied were clusters of HCN-(He)N, HX-(He)N, where X = F, Cl, Br as well as NH3-(He)N, with N = 1 - 20. Ground and excited state calculations were performed using the rigid body diffusion Monte Carlo (RBDMC) algorithm. For the excited state calculations a new approach was developed: adiabatic-node DMC (ANDMC). The ANDMC method was used to study the renormalization of molecular rotational constants in He droplets. It revealed that the dynamics depend on a delicate interplay between the gas phase rotational constant value and the anisotropies in the potential energy interaction between the He atom and the dopant. Also presented are the results of the first DMC simulations of the ammonia dimer doped into a small droplet of He-4. Further, a new approach to finding nodal surfaces for DMC simulations was developed that involved using a genetic algorithm (GA). This method was implemented to systematically and automatically compute nodal surfaces of excited states of the HCN-He complex and of the interchange tunneling splitting in the hydrogen-bonded HCl-HCl complex. The classical rotational dynamics of HX-He complexes with X = F, Cl, Br, CN were studied to gain insight into quantum simulations and revealed highly chaotic dynamics for states with J > 0. Fractal Weyl law behavior in an open, chaotic Hamiltonian system is the subject of the final chapter.
Author: Todd Glenn Clements
Publisher:
Published: 2002
Total Pages: 920
ISBN-13:
DOWNLOAD EBOOKAuthor: 岡崎国立共同研究機構分子科学研究所
Publisher:
Published: 1989
Total Pages: 260
ISBN-13:
DOWNLOAD EBOOKAuthor: P.J. Reynolds
Publisher: Elsevier
Published: 2014-06-28
Total Pages: 422
ISBN-13: 1483297527
DOWNLOAD EBOOKThis book attempts to answer why there is so much interest in clusters. Clusters occur on all length scales, and as a result occur in a variety of fields. Clusters are interesting scientifically, but they also have important consequences technologically. The division of the book into three parts roughly separates the field into small, intermediate, and large-scale clusters. Small clusters are the regime of atomic and molecular physics and chemistry. The intermediate regime is the transitional regime, with its characteristics including the onset of bulk-like behavior, growth and aggregation, and the beginning of materials properties. Large-scale clusters reflect more condensed-matter and materials science aspects and it is in this regime that fractals make their most dramatic appearance. This well-integrated and pedagogical overview of the wide field of clusters in which both theoretical and experimental work is covered, will be of interest not only to students, advanced undergraduates and graduate students, but also to researchers in the various subfields surveyed.