Welcome To Main Group Chemistry

Modern main-group chemistry is a vibrant branch of inorganic chemistry covering issues of molecular structure, bonding, and reactivity patterns of s and p block element systems. Main-group chemistry intersects strongly with organic chemistry, molecular astronomy, and materials science. Students of 5.05 will address modern aspects of main-group element chemistry using some of the tools of computational quantum chemistry, looking to clarify interesting theoretical questions including resonance, multiple bonding, weak interactions, and aromaticity. No prior experience with computational chemistry is required.


The image at left shows the XeF5 anion, with one of the Xe-F natural bond orbitals displayed in blue and red.

Note that an NBO exhibits maximal localization in accord with the Lewis model and need not serve as a basis for one of the irreducible representations of the molecular point group.