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|Title: ||Proton affinities of borane-amines: Consequences on dihydrogen bonding|
|Authors: ||PATWARI, GN|
|Keywords: ||main-group elements|
|Issue Date: ||2005|
|Publisher: ||AMER CHEMICAL SOC|
|Citation: ||JOURNAL OF PHYSICAL CHEMISTRY A, 109(10), 2035-2038|
|Abstract: ||The calculated proton affinities of four borane-amines using Gaussian-2 theory have been found to be comparable to conventional bases such as water, methanol, and ammonia. On the other hand the structure of protonated borane-ammonia, [HBH3-NH3](+), is found to be drastically different from that of protonated ammonia, [HNH3](+), and can appropriately be described as a eta(2)-H-2 complex with [BH2-NH3](+) molecular cation. Further, the proton affinities of borane-amines are related to the ease of H-2 elimination.|
|Appears in Collections:||Article|
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