Title of article
Structures of carborane cations derived from the reaction of 2-propyl cation with diborane: DFT/IGLO/GIAO-MP2/NMR investigations of alkylborane and alkylcarborane patterns
Author/Authors
Golam Rasul، نويسنده , , G.K. Surya Prakash، نويسنده , , L.D Field، نويسنده , , George A. Olah، نويسنده , , Robert E Williams، نويسنده ,
Issue Information
دوفصلنامه با شماره پیاپی سال 2000
Pages
7
From page
195
To page
201
Abstract
Structures of carborane cations derived from the reaction of 2-propyl cation with diborane have been re-investigated by the DFT/IGLO/GIAO-MP2/NMR method. Based on the results the earlier proposed compound, arachno-Me2CBH4+ (4) was not obtained. The carborane, arachno-MeC2BH7+ (5) (3.4 kcal mol−1 more stable than 4) is a better candidate for the second species observed.
Keywords
Carborane cation , 11B-NMR , structure , Chemical shifts , Energetics , Theoretical calculations
Journal title
Journal of Organometallic Chemistry
Serial Year
2000
Journal title
Journal of Organometallic Chemistry
Record number
1371498
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