SeyedAbdolreza Sadjadi


My primary field of research is computational quantum chemistry in which the electronic structure, bonding and spectroscopic properties of molecules are calculated via first principle calculations. I got my bachelor degree in pure chemistry (Shahid Beheshti University 1992-1996) followed by the master degree in ab initio quantum chemical calculations on simple tri-cyclic hydrocarbons (Tehran University, 1998-2000).

Since 2002 I started the study of the theory of electron density analysis that ultimately made the cornerstone of my PhD study (The University of Hong Kong, 2009-2013) on electron density analysis of heavy transition metal complexes.

In this attractive Astrochemistry field of research I am trying to understand the nature of unknown interstellar oscillators, mainly hydrocarbons, and the special features found in their rovibrational and electronic emission spectra, by applying the first principle quantum chemistry models.

Selected Publications

  1. Sadjadi, S., Zhang, Y., Kwok, S., "On the Origin of the 11.3 Micron Unidentified Infrared Emission Feature", The Astrophysical Journal, 807, 95 (2015) [doi: 10.1088/0004-637X/807/1/95
  2. Sadjadi, S., Zhang, Y., Kwok, S., "A Theoretical Study on the Vibrational Spectra of Polycyclic Aromatic Hydrocarbon Molecules with Aliphatic Sidegroups", The Astrophysical Journal, 801, 34 (2015) [doi: 10.1088/0004-637x/801/1/34
  3. Sadjadi, S.A., Matta, C.F., Hamilton, I.P., "Chemical bonding in groups 10, 11, and 12 transition metal homodimers - An electron density study", Canadian Journal of Chemistry, 91, 583 (2013) [doi: 10.1139/cjc-2012-0549]
  4. Sadjadi, S.A., Matta, C.F., Lemke, K.H., Hamilton, I.P., "Relativistic-Consistent Electron Densities of the Coinage Metal Clusters M2, M4, M42, and M4Na2 (M = Cu, Ag, Au): A QTAIM Study", The Journal of Physical Chemistry A, 115, 13024 (2011) [doi:10.1021/jp204993r]
  5. Rashidi-Ranjbar, P., Sadjadi, S.A., Gholam Hossein Shafiee, Foroutan-Nejad, C., "Application of Quantum Theory of Atoms in Molecules on Small Single Wall (6,0) Zigzag Carbon Clusters. Part I: Topological Analysis of Electron Density, Structure and Bonding", Journal of Molecular Structure: THEOCHEM, 856, 79 (2008) [doi:10.1016/j.theochem.2008.01.021]
  6. Shahbazian, S., Sadjadi, S.A., "Ab initio post-HF study of electronic charge density distribution of cyclic (B6C)-2: Concrete evidence of a novel bonding pattern", Journal of Molecular Structure: THEOCHEM, 822, 116 (2007) [doi:10.1016/j.theochem.2007.08.011]
  7. Foroutan-Nejad, C., Shafiee, G.H., Sadjadi, S.A., Shahbazian, S., "Ab initio charge density analysis of (B6C)2? and B4C3 species ? How to describe the bonding pattern? ", Canadian Journal of Chemistry, 84, 771 (2006) [doi: 10.1139/v06-059]