The Effect of Carborane Substituents on the Lewis Acidity of Boranes.
Inorg Chem
; 62(33): 13495-13504, 2023 Aug 21.
Article
em En
| MEDLINE
| ID: mdl-37560972
ABSTRACT
The Lewis acidity of primary, secondary, and tertiary boranes with phenyl, pentafluorophenyl, and all three isomers of the C-substituted icosahedral carboranes (ortho, meta, and para) was investigated by computing their fluoride, hydride, and ammonia affinities as well as their global electrophilicity indices and LUMO energies. From these calculations, it was determined that the substituent effects on the Lewis acidity of these boranes follow the trend of ortho-carborane > meta-carborane > para-carborane > C6F5 > C6H5.
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MEDLINE
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En
Ano de publicação:
2023
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Article