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Proton affinities of borane-amines: Consequences on dihydrogen bonding

DSpace at IIT Bombay

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Field Value
 
Title Proton affinities of borane-amines: Consequences on dihydrogen bonding
 
Creator PATWARI, GN
 
Subject main-group elements
hydrogen-bonds
gas-phase
neutron-diffraction
complex
phenol
clusters
spectroscopy
energies
bh3nh3
 
Description 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.
 
Publisher AMER CHEMICAL SOC
 
Date 2011-07-14T17:12:08Z
2011-12-26T12:49:05Z
2011-12-27T05:34:46Z
2011-07-14T17:12:08Z
2011-12-26T12:49:05Z
2011-12-27T05:34:46Z
2005
 
Type Article
 
Identifier JOURNAL OF PHYSICAL CHEMISTRY A, 109(10), 2035-2038
1089-5639
http://dx.doi.org/10.1021/jp044445b
http://dspace.library.iitb.ac.in/xmlui/handle/10054/4018
http://hdl.handle.net/10054/4018
 
Language en