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We have investigated the ground state structures of neutral and chargedXH$_{4}$(X=C, Si, Ge, Sn and Pb) molecules using the first-principleselectronic structure methods. The structure of positively charged molecules forX = Si, Ge, Sn and Pb is characterized by a severe distortion from tetrahedralstructure and an unusual H-H bond while the negatively charged molecules getdistorted by pushing two hydrogen atoms away from each other. However,CH$_{4}$$^{+}$ and CH$_{4}$$^{-}$ are exceptions to this behavior. We providean insight into the symmetry breaking mechanism and unusual H-H bonding usingsimple electrostatic arguments based on the unequal charge distribution on Hatoms. Those charged molecules having unequal charge distribution on H atomsget distorted due to different electrostatic forces between the atoms. We showthat the directionality and occupation of the highest occupied molecularorbital(HOMO) play an important role in creating charge asymmetry in thesemolecules.

physical review. a, atomic, molecular, and optical physics/physical review, a, atomic, molecular, and optical physics

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Symmetry breaking and structural distortions in chargedXH4(X=C,Si, …