Stacking of dicarbonylacetylacetonatorhodium(I) molecules

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• 作者：Jeanet Conradie ^{conradj@ufs.ac.za}
• 关键词：Rhodium ; QTAIM ; NBO ; Metal-metal interaction ; DFT
• 刊名：Computational and Theoretical Chemistry
• 出版年：2017
• 出版时间：1 February 2017
• 年：2017
• 卷：1101
• 期：Complete
• 页码：30-35
• 全文大小：2103 K
• 卷排序：1101

文摘

QTAIM calculations indicate RhRh bond paths in adjacent [Rh(acac)(CO)2] molecules. NBO calculations show donor-acceptor interaction between two rhodium atoms. MO show σ and σ∗ bonding between dz2 orbitals on Rh between [Rh(acac)(CO)2] molecules.