Structure and dynamics of [Nb(η<sup>5</sup>-C<inf>5</inf>H<inf>4</inf>SiMe<inf>3</inf>) <inf>2</inf>(η<sup>2</sup>-H<inf>2</inf>BR<inf>2</inf>)] (R<inf>2</inf> = O<inf>2</inf>C<inf>6</inf>H<inf>4</inf>, C<inf>8</inf>H<inf>14</inf>, H<inf>2</inf>) complexes. A combined experimental and theoretical study

Antonio Antiñolo, Fernando Carrillo-Hermosilla, Juan Fernández-Baeza, Santiago García-Yuste, Antonio Otero, Ana María Rodríguez, Javier Sánchez-Prada, Elena Villaseñor, Ricard Gelabert, Miquel Moreno, José M. Lluch, Agustí Lledós

Research output: Contribution to journalArticleResearchpeer-review

28 Citations (Scopus)

Abstract

Dihydrogen elimination from the reaction of the niobocene trihydride Cp′2NbH3 (Cp′ = η5-C5H4SiMe3) and the appropriate borane provides a synthetic route to the new borate-containing niobocene complexes [Nb(η5-C5H4SiMe3) 2(η2-H2BR2)] (R2 = O2C6H4 (1), C8H14 (2), H2 (3)). The reaction with H2BO2C6H4 or H2BC8H14 proceeds at mild temperature, and the BH3·THF adduct reacts even at low temperature. Complexes 2 and 3 show dynamic behavior in solution. Spectroscopic and theoretical studies were carried out in order to clarify these dynamic processes. In addition, X-ray diffraction studies of 2 were carried out and the results correlated with the theoretical data. Finally, reactions of Cp′2Nb(H)(L) (L = CO, CN(2,6-Me2C6H3), tBuOOCH=CHCOOtBu) with BH3·THF give rise to the complex 3, with the elimination of the appropriate ancillary ligand L. © 2000 American Chemical Society.
Original languageEnglish
Pages (from-to)3654-3663
JournalOrganometallics
Volume19
Issue number18
Publication statusPublished - 4 Sep 2000

Fingerprint Dive into the research topics of 'Structure and dynamics of [Nb(η<sup>5</sup>-C<inf>5</inf>H<inf>4</inf>SiMe<inf>3</inf>) <inf>2</inf>(η<sup>2</sup>-H<inf>2</inf>BR<inf>2</inf>)] (R<inf>2</inf> = O<inf>2</inf>C<inf>6</inf>H<inf>4</inf>, C<inf>8</inf>H<inf>14</inf>, H<inf>2</inf>) complexes. A combined experimental and theoretical study'. Together they form a unique fingerprint.

Cite this