Department the Chemistry, McMaster University, 1280 main Road West, Hamilton, Ontario, Canada L8S 4M1
Publication background Received17 June 1999Published online24 September 1999Published inissue 1 October 1999

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The unexpected better Lewis mountain of BCl3 than BF3 with respect to strong bases such together NH3 has actually been the subject of lot discussion. A number of explanations have been proposed, among which the most popular and most widely quoted is that more powerful back-donation native fluorine than from chlorine decreases the access of the otherwise north 2p orbital on boron from accepting an electron pair from a base. In contrast, towards weak bases such together CO, BF3 is a stronger Lewis acid 보다 BCl3. We have actually reinvestigated the relative acid strengths of BF3 and also BCl3 toward Lewis bases by calculating geometries and also atomic charges for the following adducts: BF3·NH3, BF3·N(CH3)3, BF3·OH2, BF3·O(CH3)2, BCl3·NH3, BCl3·N(CH3)3, BCl3·OH2, and BCl3·O(CH3)2. Our results display that the halogen ligands stay close-packed throughout the formation of one adduct and also that the link lengths boost accordingly. That takes more energy come lengthen the short solid BF bonds 보다 the longer weaker BCl bonds and also it is for this reason that BCl3 is a stronger Lewis acid 보다 BF3 towards a strong base such as NH3. In contrast, in the development of a complex with a weak basic such as CO, the BX3 is barely distorted from planarity and also so the acidity of BF3 is higher than that of BCl3 since the fee on boron is higher in BF3 than BCl3.


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