Physical and Theoretical Chemistry

Physical and theoretical chemistry provides a quantitative framework for understanding and appreciating the static, dynamical, and chemical properties of gases, liquids and solids. These can be as simple as a collection of rare gas atoms or as complex as DNA, but in every case knowledge of their physical state and how it might respond to change, such as the absorption of a photon, can only be gained using advanced experimental or computational methods. Physical and theoretical chemistry research at Nottingham covers a broad range of subdisciplines, including surface and materials science, computational and quantum chemistry, laser spectroscopy, solid-state NMR, cluster science and molecular astrophysics. Within each of these areas, Nottingham has made major contributions in the advancement of physical and theoretical chemistry both in terms of our knowledge of basic processes and in the development of advanced instrumentation and computational techniques.

Cluster science

• New experiments are being developed to study helium nanodroplets and their properties as a quantum fluid.

Molecular astrophysics and atmospheric chemistry

• Spectra recorded from stars and nebulae are modelled to identify their constituent molecules.

• Laboratory experiments and computational methods are used to understand processes in the upper atmosphere.

Surface science

• Surface science experiments reveal how monolayers assemble

• Analysis of how catalysts can facilitate the preparation of advanced materials.

Solid-state nuclear magnetic resonance

• New solid-state NMR methods are designed and used to study materials and biological systems.

Laser spectroscopy

• Laser photoelectron spectroscopy, including picosecond time-resolved studies, is used as a detailed probe of intramolecular dynamics of molecules in excited states.

• Laser and synchrotron light sources are used to investigate the dynamics of ionisation within small molecules and how the mechanism might be influenced by chirality.

Computational and quantum chemistry

• Quantum calculations on hydrogen bond interactions are used in support of computer simulations of protein folding

• Calculations on the excited states of molecules reveal details of their behaviour in the condensed phase.

This research is undertaken with access to state-of-the-art experimental and computational facilities. Current equipment includes a wide range of vacuum systems for surface, synchrotron, photoionisation, and cluster beam experiments, tuneable UV, visible and infrared lasers, ion traps, solid-state NMR spectrometers, mass spectrometers, and advanced computational facilities including access to the University's 1000-processor cluster.