Experimental and Theoretical Studies of Infrared Spectroscopic Signatures of Key Atmospheric Molecules PDF Download
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Author: Tatyana Sinyakova
Publisher:
ISBN:
Category :
Languages : en
Pages : 165
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Book Description
Present Ph.D work has focused on experimental and theoretical studying of spectroscopic signatures of key atmospheric molecules: CO2 and CH3D. It was divided into experimental part, devoted to high-pressure measurements of IR CO2 spectra, and theoretical part, namely calculation of collisional line-widths for CH3D perturbed by various gases. In the first part, I reported room-temperature high-pressure CO2 absorption measurements in the spectral interval 600-9650 cm-1 (probed in planetary atmosphere studies) with the double goals: to provide accurate and extensive data and to trace evolution of the line-mixing effects with gradual pressure variations. In the second part, I presented semi-classical calculations of CH3D-N2 and -142 line-broadening coefficients using exact trajectory model in the parallel v3 and perpendicular vs, v6 bands of CH3D-N2 as well as in the parallel v3 band of CH3D-112 for large intervals of rotational quantum numbers required for spectroscopic databases.
Author: Tatyana Sinyakova
Publisher:
ISBN:
Category :
Languages : en
Pages : 165
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Book Description
Present Ph.D work has focused on experimental and theoretical studying of spectroscopic signatures of key atmospheric molecules: CO2 and CH3D. It was divided into experimental part, devoted to high-pressure measurements of IR CO2 spectra, and theoretical part, namely calculation of collisional line-widths for CH3D perturbed by various gases. In the first part, I reported room-temperature high-pressure CO2 absorption measurements in the spectral interval 600-9650 cm-1 (probed in planetary atmosphere studies) with the double goals: to provide accurate and extensive data and to trace evolution of the line-mixing effects with gradual pressure variations. In the second part, I presented semi-classical calculations of CH3D-N2 and -142 line-broadening coefficients using exact trajectory model in the parallel v3 and perpendicular vs, v6 bands of CH3D-N2 as well as in the parallel v3 band of CH3D-112 for large intervals of rotational quantum numbers required for spectroscopic databases.
Author: Martina H. Havenith
Publisher: Springer
ISBN: 9783662146484
Category : Science
Languages : en
Pages : 120
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Book Description
This book is intended to give an introduction to intermolecular forces from an experimental point of view. Within the last 10 years the interest has turned more and more into an understanding of the weak, but important, int- molecular forces. New experimental techniques have been developed which have helped to gain more insight into this interesting topic. This book is intended as an introduction for graduate students who are familiar with the main concepts of n~olecular spectroscopy. Special emphasis will be laid on the theoretical concepts. After a detailed description of experimental techniques, the results for two prototype systems which have been the subject of several studies in the literature within recent years will be presented. Ar-CO is becoming the most extensively studied van der Waals complex, theoretically and experimentally. Nevertheless, this example shows that even though the theory has greatly improved and has helped us to improve our knowledge of intermolecular forces, even for relatively simple cases the theory car1 still fall short of an accurate description. For a long time (NH3)2 was considered as a prototype for hydrogen bo- ing. However, subsequent experimental and theoretical studies have revealed the mysteries of the obtained spectra and proved that our previous concept of hydrogen bonds was just too naive.
Author: Pierre-Richard Dahoo
Publisher: John Wiley & Sons
ISBN: 1119865972
Category : Science
Languages : en
Pages : 322
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Book Description
This book, Volume 4 in the series, is dedicated to the relationship between laboratory spectroscopy, recording ever-more-complex spectra using increasingly powerful instruments benefiting from the latest technology, and the development of observation using instruments that are embedded in mobile probes or nanosatellites. The theoretical models described in Volumes 1, 2 and 3 are used in this volume, applying the cumulant theorem in the mean-field theory framework to interpret the near and mid-infrared spectra of symmetric top molecules, such as ammonia (NH3) and spherical molecules, such as methane (CH4). These molecules can be isolated in their gaseous form or subjected to the environmental constraints of a nano-cage (a substitution site, clathrate, fullerene or zeolite) or surfaces. These methods are not only valuable in the fields of environmental sciences, planetology and astrophysics, but also fit into the framework of data processing and the concept of Big Data.
Author: Martina H. Havenith
Publisher: Springer
ISBN: 9783540426912
Category : Science
Languages : en
Pages : 120
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Book Description
This book is intended to give an introduction to intermolecular forces from an experimental point of view. Within the last 10 years the interest has turned more and more into an understanding of the weak, but important, int- molecular forces. New experimental techniques have been developed which have helped to gain more insight into this interesting topic. This book is intended as an introduction for graduate students who are familiar with the main concepts of n~olecular spectroscopy. Special emphasis will be laid on the theoretical concepts. After a detailed description of experimental techniques, the results for two prototype systems which have been the subject of several studies in the literature within recent years will be presented. Ar-CO is becoming the most extensively studied van der Waals complex, theoretically and experimentally. Nevertheless, this example shows that even though the theory has greatly improved and has helped us to improve our knowledge of intermolecular forces, even for relatively simple cases the theory car1 still fall short of an accurate description. For a long time (NH3)2 was considered as a prototype for hydrogen bo- ing. However, subsequent experimental and theoretical studies have revealed the mysteries of the obtained spectra and proved that our previous concept of hydrogen bonds was just too naive.
Author: Eric Gonzalez
Publisher:
ISBN:
Category : Carbon
Languages : en
Pages :
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Book Description
Author: Pierre-Richard Dahoo
Publisher: John Wiley & Sons
ISBN: 1786305682
Category : Science
Languages : en
Pages : 290
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Book Description
This book is dedicated to the description and application of various different theoretical models to identify the near and mid-infrared spectra of symmetric and spherical top molecules in their gaseous form. Theoretical models based on the use of group theory are applied to rigid and non-rigid molecules, characterized by the phenomenon of tunneling and large amplitude motions. The calculation of vibration-rotation energy levels and the analysis of infrared transitions are applied to molecules of ammonia (NH3) and methane (CH4). The applications show how interactions at the molecular scale modify the near and mid-infrared spectra of isolated molecules, under the influence of the pressure of a nano-cage (the substitution site of a rare gas matrix, clathrate, fullerene or zeolite) or a surface, and allow us to identify the characteristics of the perturbing environment. This book provides valuable support for teachers and researchers but is also intended for engineering students, working research engineers and Masters and doctorate students.
Author: Pierre-Richard Dahoo
Publisher: John Wiley & Sons
ISBN: 1786303930
Category : Science
Languages : en
Pages : 236
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Book Description
This book is dedicated to the application of the different theoretical models described in Volume 1 to identify the near-, mid- and far-infrared spectra of linear and nonlinear triatomic molecules in gaseous phase or subjected to environmental constraints, useful for the study of environmental sciences, planetology and astrophysics. The Van Vleck contact transformation method, described in Volume 1, is applied in the calculation and analysis of IR transitions between vibration–rotation energy levels. The extended Lakhlifi–Dahoo substitution model is used in the framework of Liouville’s formalism and the line profiles of triatomic molecules and their isotopologues subjected to environmental constraints are calculated by applying the cumulant expansion. The applications presented in this book show how interactions at the molecular level modify the infrared spectra of triatomics trapped in a nano-cage (substitution site of a rare gas matrix, clathrate, fullerene, zeolite) or adsorbed on a surface, and how these interactions may be used to identify the characteristics of the perturbing environment.
Author: G. Guelachvili
Publisher: Springer
ISBN: 9783540636472
Category : Science
Languages : en
Pages : 384
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Book Description
Volume II/20 provides critically evaluated data on free molecules, obtained from infrared spectroscopy and related experimental and theoretical investigations. The volume is divided into four subvolumes, A: Diatomic Molecules, B: Linear Triatomic Molecules, C: Nonlinear Triatomic Molecules, D: Polyatomic Molecules. The present subvolume II/20 B3 deals with the linear triatomic nitrous oxide molecule, N2O (NNO). Both the normal isotopic species 14N14N16O and eleven of its isotopic varieties have been considered in this subvolume. The tables are preceded by an additional index to help the search for specific information. Subvolume B3 contains a CD-ROM. Further subvolumes are in preparation.
Author: Anouk M. Rijs
Publisher: Springer
ISBN: 3319192043
Category : Science
Languages : en
Pages : 409
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Book Description
The series Topics in Current Chemistry presents critical reviews of the present and future trends in modern chemical research. The scope of coverage is all areas of chemical science including the interfaces with related disciplines such as biology, medicine and materials science. The goal of each thematic volume is to give the non-specialist reader, whether in academia or industry, a comprehensive insight into an area where new research is emerging which is of interest to a larger scientific audience. Each review within the volume critically surveys one aspect of that topic and places it within the context of the volume as a whole. The most significant developments of the last 5 to 10 years are presented using selected examples to illustrate the principles discussed. The coverage is not intended to be an exhaustive summary of the field or include large quantities of data, but should rather be conceptual, concentrating on the methodological thinking that will allow the non-specialist reader to understand the information presented. Contributions also offer an outlook on potential future developments in the field. Review articles for the individual volumes are invited by the volume editors. Readership: research chemists at universities or in industry, graduate students.
Author: Hao Li
Publisher:
ISBN:
Category :
Languages : en
Pages : 392
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Book Description
