Bonding and stability of donor ligand-supported heavier analogues of cyanogen halides (L')PSi(X)(L).

ABSTRACT: Fluoro- and chloro-phosphasilynes [X-Si[triple bond, length as m-dash]P (X = F, Cl)] belong to a class of illusive chemical species which are expected to have Si[triple bond, length as m-dash]P multiple bonds. Theoretical investigations of the bonding and stability of the corresponding Lewis base-stabilized species (L')PSi(X)(L) [L' = cAAC^Me (cyclic alkyl(amino) carbene); L = cAAC^Me, NHC^Me (N-heterocyclic carbene), PMe₃, aAAC (acyclic alkyl(amino) carbene); X = Cl, F] have been studied using the energy decomposition analysis-natural orbitals for chemical valence (EDA-NOCV) method. The variation of the ligands (L) on the Si-atom leads to different bonding scenarios depending on their σ-donation and π-back acceptance properties. The ligands with hi

SUBMITTER: Gorantla SMNVT 

PROVIDER: S-EPMC8694932 | biostudies-literature | 2021 Feb

REPOSITORIES: biostudies-literature