Introduction to High Resolution Spectroscopy 

Introduction Rotational Vibrational Miscellaneous

Introduction to High Resolution Spectroscopy
This site contains tools, simulations and resources to help you understand high resolution spectroscopy. It is designed to give you "hands-on" practice in using the most important equations and to see the relationship between these equations, the internal molecular motions and the spectrum. The site covers rotational (microwave) and vibrational spectroscopy. Each section has a self test to check your knowledge and understanding featuring 5 questions drawn randomly from a large pool of questions.

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All of the resources on these pages are available for free for independent study or for use as teaching resources. Please email us with any comments, corrections or additional resources which could be included on the site.

Rotational Spectroscopy

This section covers molecular rotations and the energy levels and spectra of rigid and non-rigid rotors. On-line calculators and interactive simulations allow you to investigate the effect of molecular properties, such as atomic masses and bond length on the energy levels and form of the microwave spectra. The effect of temperature and these properties on the population of rotational energy levels and the intensity pattern in microwave spectra.

Vibrational Spectroscopy

This section covers harmonic and anharmonic vibrations, energy levels and infrared spectra. On-line calculators and interactive simulations allow you to investigate the effect of molecular properties, such as atomic masses and force constants on infrared spectra.

You can also investigate the effect of rotational levels on the fine structure of infrared bands.

Interactive models of the infrared spectra of key classes of organic molecules allow you to investigate characteristic frequencies of key functional groups.


This section covers aspects of electronic spectroscopy, including the energy and spectrum of the hydrogen atom, the 'd-d' spectrum and magnetism of transition metal complexes and vibrational progressions on electronic bands.

This section also contains applets for NMR spectroscopy and aspects of quantum mechanics.


The material on this website was partly developed during a University of Hull Teaching Fellowship and the author gratefully acknowledges the funding from this source which enabled the project to begin.
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