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• W2084633057 endingPage "7112" @default.
• W2084633057 startingPage "7105" @default.
• W2084633057 abstract "DFT (B3LYP) calculations have been carried out in order to quantitatively evaluate the energies and stereochemistry of the accessible structures of [(dhpe)Pt(SiHR2)]+ (dhpe = H2P−CH2−CH2−PH2; R = H, CH3, SiH3, Cl, OMe, SMe, NMe2) and of [(dhpe)Pt(SiR3)]+ (R = CH3, Cl). A number of different isomers have been located. The expected terminal silyl or hydrido-silylene complexes are often not the most stable complexes. An isomer in which an H or an R group bridges a PtSiHR or PtSiR2 bond is found to compete with the terminal silyl or hydrido-silylene isomers. In some cases, isomers derived from cleavage of a CH bond and formation of a silene or disilene ligand are obtained. The structures of the platinum silyls differ from that of the equivalent alkyl complex, calculated for [(dhpe)Pt(CH3)]+." @default.
• W2084633057 created "2016-06-24" @default.
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• W2084633057 date "2002-11-21" @default.
• W2084633057 modified "2023-09-25" @default.
• W2084633057 title "Silyl, Hydrido-Silylene, or Other Bonding Modes: Some Unusual Structures of [(dhpe)Pt(SiHR₂)]⁺(dhpe = H₂PCH₂CH₂PH₂; R = H, Me, SiH₃, Cl, OMe, NMe₂) and [(dhpe)Pt(SiR₃)]⁺(R = Me, Cl) from DFT Calculations" @default.
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• W2084633057 doi "https://doi.org/10.1021/ic025911j" @default.
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