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• W2087621618 endingPage "13070" @default.
• W2087621618 startingPage "13054" @default.
• W2087621618 abstract "Experimental and computational studies on a series of cationic molybdenocene trihydride complexes, namely [Cp2MoH3]+, [(CpBut)2MoH3]+, [Cp*2MoH3]+, and {[Me2Si(C5Me4)2]MoH3}+, demonstrate that the most stable form for the ansa molybdenocene derivative is a nonclassical dihydrogen−hydride isomer, {[Me2Si(C5Me4)2]Mo(η2-H2)(H)}+, whereas the stable forms for the non-ansa complexes are classical trihydrides, [Cp2Mo(H)3]+, [(CpBut)2Mo(H)3]+, and [Cp*2Mo(H)3]+. In addition to altering the classical versus nonclassical nature of [Cp*2MoH3]+ and {[Me2Si(C5Me4)2]Mo(η2-H2)(H)}+, the [Me2Si] ansa bridge also markedly influences the stability of the complex with respect to elimination of H2 and dissociation of H+. Finally, computational studies on {[H2Si(C5H4)2]MoH2D}+ and {[H2Si(C5H4)2]MoHD2}+ establish that deuterium exhibits a greater preference than hydrogen to occupy dihydrogen versus hydride sites." @default.
• W2087621618 created "2016-06-24" @default.
• W2087621618 creator A5033282894 @default.
• W2087621618 creator A5065715723 @default.
• W2087621618 creator A5072093741 @default.
• W2087621618 date "2004-09-16" @default.
• W2087621618 modified "2023-09-26" @default.
• W2087621618 title "Molybdenocene Trihydride Complexes: Influence of a [Me₂Si] <i>Ansa</i> Bridge on Classical versus Nonclassical Nature, Stability with Respect to Elimination of Dihydrogen, and Acidity" @default.
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• W2087621618 doi "https://doi.org/10.1021/ja047554c" @default.
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• W2087621618 hasPublicationYear "2004" @default.
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