Rotational Structure in Molecular Infrared Spectra

1st Edition

Authors: Carlo di Lauro
Hardcover ISBN: 9780124077713
eBook ISBN: 9780124078932
Imprint: Elsevier
Published Date: 13th May 2013
Page Count: 344
Tax/VAT will be calculated at check-out
Compatible Not compatible
VitalSource PC, Mac, iPhone & iPad Amazon Kindle eReader
ePub & PDF Apple & PC desktop. Mobile devices (Apple & Android) Amazon Kindle eReader
Mobi Amazon Kindle eReader Anything else

Institutional Access


Recent advances in infrared molecular spectroscopy have resulted in sophisticated theoretical and laboratory methods that are difficult to grasp without a solid understanding of the basic principles and underlying theory of vibration-rotation absorption spectroscopy. Rotational Structure in Molecular Infrared Spectra fills the gap between these recent, complex topics and the most elementary methods in the field of rotational structure in the infrared spectra of gaseous molecules. There is an increasing need for people with the skills and knowledge to interpret vibration-rotation spectra in many scientific disciplines, including applications in atmospheric and planetary research. Consequently, the basic principles of vibration-rotation absorption spectroscopy are addressed for contemporary applications. In addition to covering operational quantum mechanical methods, spherical tensor algebra, and group theoretical methods applied to molecular symmetry, attention is also given to phase conventions and their effects on the values of matrix elements. Designed for researchers and PhD students involved in the interpretation of vibration-rotation spectra, the book intentionally separates basic theoretical arguments (in the appendices), allowing readers who are mainly concerned with applications to skip the principles while at the same time providing a sound theoretical basis for readers who are looking for more foundational information.

Key Features

  • Reviews basic theory and contemporary methods of vibration rotation absorption spectroscopy, including operational quantum mechanical methods, spherical tensor algebra, and group theoretical methods applied to molecular symmetry
  • Covers sophisticated mathematical topics in simple, easy-to-read language
  • Discusses methods and applications separately from basic theoretical arguments for quick reference


Physical and theoretical chemists, analytical and biochemists, physicists, astronomers, atmosphericists, astrophysicists, and graduate-level/post-doctoral students in these disciplines

Table of Contents



1. The Vibration-Rotation Problem

1.1 Classical Kinetic Energy

1.2 The Quantum Mechanical Hamiltonian


2. Interaction of Matter and Light

2.1 Time-Dependent Perturbations

2.2 A Charge in an Electromagnetic Field

2.3 A System of Charged Particles in a Radiation Field

2.4 More on Electric Dipole Transitions

2.5 Spontaneous Emission


3. Molecular Symmetry and Spectroscopy

3.1 Molecular Symmetry and Molecular Point Groups

3.2 Rotational Energy and Rotational Hamiltonian of Rigid Rotors

3.3 Rotational Symmetry and Rotational Groups

3.4 Molecular Deformations and Molecular Symmetry Groups

3.5 The Inversion Operation E* and Parity

3.6 The Complete Nuclear Permutation and Permutation-Inversion Groups

3.7 Feasible Operations and Molecular Symmetry Groups

3.8 The Extension of Molecular Symmetry Groups

3.9 Time Reversal

3.10 A First Glance to Transition Selection Rules: Parity


4. Symmetry of Wavefunctions in Vibration-Rotation Spectroscopy

4.1 Rotational Coordinates

4.2 Rotational Operators and Wavefunctions

4.3 Molecular Vibrations

4.4 Vibration-Rotation Wavefunctions

4.5 Linear Molecules

4.6 Asymmetric Top Molecules

4.7 Spherical Top Molecules


5. Nuclear Spin Statistical Weights

5.1 Symmetries of Nuclear Spin, Rovibronic, and Total Wavefunctions

5.2 Linear Molecules


6. Expansion and Transformations of the Vibration-Rotation Hamiltonian

6.1 Expansion of the Vibration-Rotation Hamiltonian

6.2 The Expanded Vibration-Rotation Hamiltonian

6.3 An Isolated Vibrational State


7. Effects of Centrifugal Distortions

7.1 Linear Molecules

7.2 Sym


No. of pages:
© Elsevier 2013
eBook ISBN:
Hardcover ISBN:

About the Author

Carlo di Lauro

Carlo di Lauro obtained, with honor, the title of Doctor in Industrial Chemistry in 1963 and soon started his research activity. In 1965, he won an OCSE fellowship where he worked at the University of Reading, U.K., focusing on his interests in the theory and interpretation of vibration-rotation spectra of light molecules, working with Prof. I. M. Mills. He has been teaching since then, and has been at the University of Napoli, Federico II since 1984. In 1991 he was awarded the knighthood “Chevalier des Palmes Académiques” by the Ministère de l’Education Nationale of France. His research activity, in the field of the Molecular Spectroscopy of gases, has always covered both the theoretical aspects and the application to the interpretation of actual spectra. He is the author or co-author of more than 90 scientific articles in relevant international journals. Presently, Dr. di Lauro’s research activity is devoted to vibration-torsion interaction mechanisms in molecules with internal rotation, especially those like ethane. His achievements in the fields of Interactions of Molecular Vibrations and Rotation, Electron Spin Structure in Ro-vibronic Spectra of Molecules in Multiple States, Phases in the Wavefunctions in Molecular Spectroscopy, and Internal Rotation in Floppy Molecules are widely known in the scientific community. In particular, he has shown that torsional Coriolis interactions (coupling of vibrational modes with the internal rotation or large amplitude torsion) can have drastic predictable effects on the magnitude of torsional line splitting. He is consultant of the Jet Propulsion Laboratory of Pasadena, California, since 2007, on a Nasa project for the study of the atmosphere of Titan. He is still working in the detailed interpretation of high resolution infrared spectra of ethane, and this activity has earned for him an international reputation in the community of planetary astronomers. Beyond his scientific activity, Dr. di Lauro is passionate about cl

Affiliations and Expertise

University of Napoli Federico II, Italy


"Lauro offers a bridge between recent research on advanced aspects of molecular spectroscopy and elementary basic methods in the field of the rotational structure in the infrared spectra of gaseous molecules, an area that has not been studied much during the past few decades.", April 2014