Application of a nucleophilic boryl complex in the frustrated Lewis pair: activation of H–H, B–H and CC bonds with B(C6F5)3 and boryl–borate lithium

There is no author summary for this article yet. Authors can add summaries to their articles on ScienceOpen to make them more accessible to a non-specialist audience.

Abstract

The frustrated Lewis pair (FLP) comprised of boryl–borate lithium [pinBB(Ph)pin]Li and B(C ₆F ₅) ₃ can efficiently activate H ₂, HBpin and C ₂H ₄.

Abstract

The frustrated Lewis pair comprised of B(C ₆F ₅) ₃ and a boryl–borate lithium salt Li[pinBB(Ph)pin] can efficiently activate dihydrogen, pinacolborane and ethylene at ambient temperature. Theoretical studies suggest that the nucleophilic sp ² boryl moiety of Li[pinBB(Ph)pin] plays different roles in these reactions.

Related collections

Most cited references 56

Record: found
Abstract: found
Article: not found

A new local density functional for main-group thermochemistry, transition metal bonding, thermochemical kinetics, and noncovalent interactions.

Yan Zhao, Donald G Truhlar (2006)

We present a new local density functional, called M06-L, for main-group and transition element thermochemistry, thermochemical kinetics, and noncovalent interactions. The functional is designed to capture the main dependence of the exchange-correlation energy on local spin density, spin density gradient, and spin kinetic energy density, and it is parametrized to satisfy the uniform-electron-gas limit and to have good performance for both main-group chemistry and transition metal chemistry. The M06-L functional and 14 other functionals have been comparatively assessed against 22 energetic databases. Among the tested functionals, which include the popular B3LYP, BLYP, and BP86 functionals as well as our previous M05 functional, the M06-L functional gives the best overall performance for a combination of main-group thermochemistry, thermochemical kinetics, and organometallic, inorganometallic, biological, and noncovalent interactions. It also does very well for predicting geometries and vibrational frequencies. Because of the computational advantages of local functionals, the present functional should be very useful for many applications in chemistry, especially for simulations on moderate-sized and large systems and when long time scales must be addressed.

0 comments Cited 718 times – based on 0 reviews      Review now

Bookmark

Record: found
Abstract: found
Article: not found

Frustrated Lewis Pairs: Metal-free Hydrogen Activation and More

Douglas W Stephan, Gerhard Erker (2010)

Sterically encumbered Lewis acid and Lewis base combinations do not undergo the ubiquitous neutralization reaction to form "classical" Lewis acid/Lewis base adducts. Rather, both the unquenched Lewis acidity and basicity of such sterically "frustrated Lewis pairs (FLPs)" is available to carry out unusual reactions. Typical examples of frustrated Lewis pairs are inter- or intramolecular combinations of bulky phosphines or amines with strongly electrophilic RB(C(6)F(5))(2) components. Many examples of such frustrated Lewis pairs are able to cleave dihydrogen heterolytically. The resulting H(+)/H(-) pairs (stabilized for example, in the form of the respective phosphonium cation/hydridoborate anion salts) serve as active metal-free catalysts for the hydrogenation of, for example, bulky imines, enamines, or enol ethers. Frustrated Lewis pairs also react with alkenes, aldehydes, and a variety of other small molecules, including carbon dioxide, in cooperative three-component reactions, offering new strategies for synthetic chemistry.