Vibrational-rotational Spectroscopy And Molecular Dynamics

Advances in Quantum Chemical and Spectroscopical Studies of Molecular Structures and Dynamics

Dusan Papousek

• Publisher: World Scientific
• Year: 1997
• Print ISBN:
  9789810216351
  9789810216351
• eBook ISBN:
  9789814261500
• Topic: Physical Sciences
• Subtopic: Chemistry
• Index: Chemistry

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.

Table of contents

• Contents
• Introduction
• Foreword
• Preface
• Chapter 1. High-Resolution Spectroscopy of Transient Molecules and its Applications to Molecular Dynamics
• Chapter 2. Vibration-Rotation Spectra of Reactive Molecules: Interplay of Ab Initio Calculations and High-Resolution Experimen al Studies
• Chapter 3. Rotational Spectra of Symmetric Top Molecules: Correlation-Free Reduced Forms of Hamiltonians Advances in Measuring Techniques and Determination of Molecular Parameters From Experimental Data
• Chapter 4. Hot Bands in Infrared Spectra of Symmetric Top and Some Other Molecules. A Useful Tool to Reach Hidden Information
• Chapter 5. The Formation of Four-Fold Rovibrational Energy Clusters in H2S H2Se and H2Te
• Chapter 6. Phase Angles in the Matrix Elements of Molecular Spectroscopy
• Chapter 7. High-Resolution Infrared Spectroscopy and One-Dimensional Large Amplitude Motion in Asymmetric Tops: HNO3 and H2O2
• Chapter 8. Extended Molecular Symmetry Groups: Symmetry Analysis of Molecules Consisting of Two Coaxial Rotors
• Chapter 9. Quantum-Mechanical Studies of Radiative Association Reactions: Formation of HeH+ NeH+ and ArH+
• Index