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Abstract: The structural, electronic and bonding properties of ThCr2Si2-type compounds, namely, CaTM2Pn2 (TM=Ni, Pd; Pn=P, As) with space group I4/mmm (139) are obtained under compression by means of Full Potential – Linearized Augmented Plane Wave (FP – LAPW) method as implemented in WIEN2K code. The optimized lattice parameter, the positional z-parameter, Fermi energy, Density of States (DOSs) at Fermi Level, electronic specific heat coefficient and the distance between Ni(Pd)–P(As) and P(As)–P(As) atoms at equilibrium lattice configuration and under compressions are reported. Electron density plots, band structure plots and DOS are illustrated and compared. Different bonding characteristics are noted and compared. Our work predicts the possible range of bond lengths for the occurrence of covalent bonding between the pnictogens in these compounds. High pressure band structure calculations reveal the possibility of Electronic Topological Transition (ETT) in these compounds. [Copyright &y& Elsevier]