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Muhammad Sajjad

Doctor of Philosophy
Study Completed: 2017
College of Sciences


Thesis Title
Computationally Synthesised Inorganic and Organometallic complexes

Read article at Massey Research Online: MRO icon

Catalytic aromatic ring carbon-hydrogen bond functionalisations by transition metal complexes are today very important in the synthesis of natural products, pharmaceuticals and materials. The key step in these functionalization reactions is the activation of the carbonhydrogen bond and this is achieved by the electron density in the bond being positioned so that it partially donates to the metal to give an interaction between the two entities. These types of interactions were studied by computational methods for the doctoral research. One interaction was found to be electrostatic in nature and was repulsive but this situation could be manipulated by electronic means and size effects. Another interaction was found to form weak attractive bonds and these could also be manipulated by electronic means and size effects. For this interaction, a new type of bonding was found which had previously not been recognised and this has now completely changed the way in which this type of interaction is viewed.

Distinguished Professor Peter Schwerdtfeger
Associate Professor John Harrison
Professor Al Nielson