Catalytic Abilities of [(C6F5)2BR] (R=NC4H4and NC4H8) Deduced from Experimental and Theoretical Charge‐Density Investigations

Autor: Flierler, Ulrike, Leusser, Dirk, Ott, Holger, Kehr, Gerald, Erker, Gerhard, Grimme, Stefan, Stalke, Dietmar
Zdroj: Chemistry - A European Journal; April 2009, Vol. 15 Issue: 18 p4595-4601, 7p
Abstrakt: Marginal difference, huge impact: The topological analyses of the electron‐density distributions obtained from experiment (see figure) and quantum‐chemical calculations in the two title compounds can consistently explain marginal changes in bonding and rationalize different catalytic abilities
Databáze: Supplemental Index