R Hoffmann

Biography

Hoffmann's research interests are in the electronic structure of stable and unstable molecules, and of transition states in reactions. He applies a variety of quantum chemical computational methods as well as qualitative arguments to problems of structure and reactivity of both organic and inorganic molecules of medium size and to extended systems in one-, two- and three-dimensions. Some of his major contributions are the development of the extended Huckel method, predictions of molecular conformations and simple potenital surfaces; electronic structure of transition states and intermediates in organic reactions, molecular orbitals of most types of reactive intermediates in organic chemistry; basic structural features of every kind of inorganic molecule; prediction of several new structural types, such as the triple-deckers and porphyrin sandwiches; exploration of the geometries, polytopal rearrangements and substitution site preferences of five, six, seven and eight coordination, the factors that influence whether certain ligands will bridge or not, the constraints on metal- metal bonding, and the geometry of uranyl and other actinide complexes; gave the isolobal analogy, a mapping on to each other of the most important fragments of organic and inorganic chemistry; introduced an especially useful tool, the COOP curve; studied several diverse molecules such as NIAs, MnP, NiP, new metalic forms of carbon, transition metal carbides etc, the making and breaking of bonds in the solid state and many other systems by unique comparisons of inorganic and surface reactions.

Research Interest

Chemistry