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The correlation of 11B NMR ASIS effects with MO-derived charge densities for closo-C2B5H7 and some chloro derivatives |
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| Authors: | Thomas Onak Zahid J Abdou Gaby Abdou Sergio Herrera |
| Abstract: | Aromatic-solvent-induced 11B NMR shifts (11B ASIS effects), observed for closo-2, 4-C2B5H7 and its 5-chloro and 5, 6-dichloro derivatives, are correlated to ab initio STO-3G derived atom charge densities. A near linear relationship is found upon incorporating nearestneighbor charge density contributions. |
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