Probing Electrostatic Potential by NMR with the Use of a Paramagnetic Lanthanide(III) Chelate

被引：6

作者：

Lopez-Vidal, Eva M. ^{[1
]}

Regueiro-Figueroa, Martin ^{[1
]}

Garcia, Marcos D. ^{[1
]}

Platas-Iglesias, Carlos ^{[1
]}

Peinador, Carlos ^{[1
]}

Quintela, Jose M. ^{[1
]}

机构：

[1] Univ A Coruna, Dept Quim Fundamental, La Coruna 15008, Spain

来源：

INORGANIC CHEMISTRY | 2012年 / 51卷 / 08期

关键词：

CHARGE-DENSITY; COMPLEXES; ION; SHIFTS; CHEMISTRY; DYNAMICS;

D O I：

10.1021/ic300288j

中图分类号：

O61 [无机化学];

学科分类号：

070301 ; 081704 ;

摘要：

The paramagnetic complex [Yb(DOTA)](-) forms ion pairs in aqueous solution with cationic species such as N-monoalkyl- and N,N'-dialkyl-4,4'-bipyridinium cations. The magnitude and sign of the induced H-1 NMR pseudocontact shift values can be correlated to the electrostatic potential calculated at the MPWLYP/6-311G** level.

引用

页码：4429 / 4431

页数：3

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