Journal
DALTON TRANSACTIONS
Volume 42, Issue 36, Pages 13200-13209Publisher
ROYAL SOC CHEMISTRY
DOI: 10.1039/c3dt50926e
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Funding
- Council of Scientific and Industrial Research (CSIR)
- CSIR
- Department of Science and Technology (DST)
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Recently, the chemistry of element (0) compounds has attracted the attention of both experimental and theoretical chemists. In this article, some new Si(0) and Ge(0) compounds stabilized by different silylene and germylene ligands are studied theoretically by applying quantum chemical calculations and topography mapping of molecular electrostatic potential (MESP). These compounds are found to have high donor-acceptor bond strengths and are thermodynamically stable. The nature of the molecular orbitals, negative values of MESP at its critical points, as well as proton affinity values suggest that they are very good nucleophiles. Calculated proton affinity values suggest the possible isolation of their diprotonated salts.
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