Studies of Molecular Conformations in Microwave Spectroscopy

Studies of Molecular Conformations in Microwave Spectroscopy PDF Author: Ira David Warren
Publisher:
ISBN:
Category :
Languages : en
Pages :

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Studies of Molecular Conformations in Microwave Spectroscopy

Studies of Molecular Conformations in Microwave Spectroscopy PDF Author: Ira David Warren
Publisher:
ISBN:
Category :
Languages : en
Pages :

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Sulphone Molecular Structures

Sulphone Molecular Structures PDF Author: Istvan Hargittai
Publisher: Springer Science & Business Media
ISBN: 3642930786
Category : Science
Languages : en
Pages : 182

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Book Description
Recently, the molecular structures of a relatively large number of sulphone compounds have been elucidated in the vapour phase by electron diffraction and microwave spectroscopy. The main purpose of these studies is the determination of the sulphur bond configuration and the conformational properties. This leads to the observation and correlation of characteristic structural variations as various ligands are attached to the S02 group and as comparisons are made with related molecules. Today it may be said that the structure of sulphone molecules is relatively well studied, and it appeared necessary to systematize the accumulated experimental data after critical considerations. This is done in the first part of this monograph. The second part presents the observed characteristic structural variations. Attempts are made to interpret these variations by valence shell electron pair repulsions and-non-bonded interactions. Correlation relationships between geometric and vibrational parameters are also presented. It is the metrical aspects of the molecular structure which are primarily considered. Since they correlate with other aspects of the molecular structure, e.g. electronic, it is hoped that the experimental information on the molecular geometry provides stim ulus for further experimental, and, in particular, theoretical work on sulphones and related systems. IV It is attempted to cover all electron diffraction and micro wave spectroscopic investigations on sulphone molecules to date. Admittedly, however, relatively larger weight is given to the electron diffraction studies originating from the author's own laboratory.

Structures and Conformations of Non-Rigid Molecules

Structures and Conformations of Non-Rigid Molecules PDF Author: J. Laane
Publisher: Springer Science & Business Media
ISBN: 9401120749
Category : Science
Languages : en
Pages : 640

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Book Description
From the beginnings of modern chemistry, molecular structure has been a lively area of research and speculation. For more than half a century spectroscopy and other methods have been available to characterize the structures and shapes of molecules, particularly those that are rigid. However, most molecules are at least to some degree non-rigid and this non-rigidity plays an important role in such diverse areas as biological activity, energy transfer, and chemical reactivity. In addition, the large-amplitude vibrations present in non-rigid molecules give rise to unusual low-energy vibrational level patterns which have a dramatic effect on the thermodynamic properties of these systems. Only in recent years has a coherent picture of the energetics and dynamics of the conformational changes inherent in non-rigid (and semi-rigid) molecules begun to emerge. Advances have been made in a number of different experimental areas: vibrational (infrared and Raman) spectroscopy, rotational (microwave) spectroscopy, electron diffraction, and, most recently, laser techniques probing both the ground and excited electronic states. Theoretically, the proliferation of powerful computers coupled with scientific insight has allowed both empirical and ab initio methods to increase our understanding of the forces responsible for the structures and energies of non-rigid systems. The development of theory (group theoretical methods and potential energy surfaces) to understand the unique characteristics of the spectra of these floppy molecules has also been necessary to reach our present level of understanding. The thirty chapters in this volume contributed by the key speakers at the Workshop are divided over the various areas. Both vibrational and rotational spectroscopy have been effective at determining the potential energy surfaces for non-rigid molecules, often in a complementary manner. Recent laser fluorescence work has extended these types of studies to electronic excited states. Electronic diffraction methods provide radial distribution functions from which both molecular structures and compositions of conformational mixtures can be found. Ab initio calculations have progressed substantially over the past few years, and, when carried out at a sufficiently high level, can accurately reproduce (or predict ahead of time) experimental findings. Much of the controversy of the ARW related to the question of when an ab initio is reliable. Since the computer programs are readily available, many poor calculations have been carried out. However, excellent results can be obtained from computations when properly done. A similar situation exists for experimental analyses. The complexities of non-rigid molecules are many, but major strides have been taken to understand their structures and conformational processes.

Frontiers of Molecular Spectroscopy

Frontiers of Molecular Spectroscopy PDF Author: Jaan Laane
Publisher: Elsevier
ISBN: 0080932371
Category : Science
Languages : en
Pages : 741

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Book Description
Much of what we know about atoms, molecules, and the nature of matter has been obtained using spectroscopy over the last one hundred years or so. In this book we have collected together twenty chapters by eminent scientists from around the world to describe their work at the cutting edge of molecular spectroscopy. These chapters describe new methodology and applications, instrumental developments, and theory which is taking spectroscopy into new frontiers. The range of topics is broad. Lasers are utilized in much of the research, but their applications range from sub-femtosecond spectroscopy to the study of viruses and also to the investigation of art and archeological artifacts. Three chapters discuss work on biological systems and three others represent laser physics. The recent advances in cavity ringdown spectroscopy (CRDS), surface enhanced Raman spectroscopy (SERS), two-dimensional correlation spectroscopy (2D-COS), and microwave techniques are all covered. Chapters on electronic excited states, molecular dynamics, symmetry applications, and neutron scattering are also included and demonstrate the wide utility of spectroscopic techniques. - Provides comprehensive coverage of present spectroscopic investigations - Features 20 chapters written by leading researchers in the field - Covers the important role of molecular spectroscopy in research concerned with chemistry, physics, and biology

Microwave Spectroscopy

Microwave Spectroscopy PDF Author: C. H. Townes
Publisher: Courier Corporation
ISBN: 0486162311
Category : Science
Languages : en
Pages : 722

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Book Description
Two Nobel Laureates present a systematic, comprehensive account of the theory, techniques, experimental data, and interpretation involved in the study of microwave spectroscopy. Eighteen self-contained chapters on key topics may be read individually or serially, making this volume ideal as a reference as well as a textbook. 190 tables and figures. 1955 edition.

NBS Special Publication

NBS Special Publication PDF Author:
Publisher:
ISBN:
Category : Weights and measures
Languages : en
Pages : 790

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Microwave Spectroscopy and Molecular Conformation of Prolinamide

Microwave Spectroscopy and Molecular Conformation of Prolinamide PDF Author: Kimberly Ann Kuhls
Publisher:
ISBN:
Category : Microwave spectroscopy
Languages : en
Pages : 320

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Studies in Molecular Structure and Rotation-vibration Interaction Using Microwave Spectroscopy

Studies in Molecular Structure and Rotation-vibration Interaction Using Microwave Spectroscopy PDF Author: LeRoy Henry Scharpen
Publisher:
ISBN:
Category : Microwave spectroscopy
Languages : en
Pages : 322

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Frontiers and Advances in Molecular Spectroscopy

Frontiers and Advances in Molecular Spectroscopy PDF Author: Jaan Laane
Publisher: Elsevier
ISBN: 0128112212
Category : Science
Languages : en
Pages : 788

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Book Description
Frontiers and Advances in Molecular Spectroscopy once again brings together the most eminent scientists from around the world to describe their work at the cutting-edge of molecular spectroscopy. Much of what we know about atoms, molecules and the nature of matter has been obtained using spectroscopy over the last one hundred years or so. Going far beyond the topics discussed in Jaan Laane's earlier book on the subject, these chapters describe new methodologies and applications, instrumental developments and theory, which are taking spectroscopy into still new frontiers. The robust range of topics once again demonstrates the wide utility of spectroscopic techniques. New topics include ultrafast spectroscopy of the transition state, SERS/far-uv spectroscopy, femtosecond coherent anti-Stokes Raman spectroscopy, high-resolution laser induced fluorescence spectroscopy, Raman spectroscopy and biosensors, vibrational optical activity, ultrafast two-dimensional spectroscopy, biology with x-ray lasers, isomerization dynamics and hydrogen bonding, single molecule imaging, spectra of intermediates, matrix isolation spectroscopy and more. - Covers spectroscopic investigations on the cutting edge of science - Written and edited by leading experts in their respective fields - Allows researchers to access a broad range of essential modern spectroscopy content from a single source rather than wading through hundreds of scattered journal articles

Publications

Publications PDF Author: United States. National Bureau of Standards
Publisher:
ISBN:
Category : Government publications
Languages : en
Pages : 668

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