Probing Electrostatic Potential by NMR with the Use of a Paramagnetic Lanthanide(III) Chelate
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- 作者：Eva M. L贸pez-Vidal ; Mart铆n Regueiro-Figueroa ; Marcos D. Garc铆a ; Carlos Platas-Iglesias ; Carlos Peinador ; Jos茅 M. Quintela
- 刊名：Inorganic Chemistry
- 出版年：2012
- 出版时间：April 16, 2012
- 年：2012
- 卷：51
- 期：8
- 页码：4429-4431
- 全文大小：227K
- 年卷期：v.51,no.8(April 16, 2012)
- ISSN：1520-510X
文摘
The paramagnetic complex [Yb(DOTA)]鈭?/sup> forms ion pairs in aqueous solution with cationic species such as N-monoalkyl- and N,N鈥?dialkyl-4,4鈥?bipyridinium cations. The magnitude and sign of the induced 1H NMR pseudocontact shift values can be correlated to the electrostatic potential calculated at the MPWLYP/6-311G** level.