Observation of the Inverse Trans Influence (ITI) in a Uranium(V) Imide Coordination Complex: An Experimental Study and Theoretical Evaluation

被引：65

作者：

Lam, Oanh P. ^{[1
]}

Franke, Sebastian M. ^{[1
]}

Nakai, Hidetaka ^{[2
]}

Heinemann, Frank W. ^{[1
]}

Hieringer, Wolfgang ^{[1
]}

Meyer, Karsten ^{[1
]}

机构：

[1] Univ Erlangen Nurnberg, Dept Chem & Pharm, D-91058 Erlangen, Germany

[2] Kyushu Univ, Grad Sch Engn, Dept Chem & Biochem, Nishi Ku, Fukuoka 8190395, Japan

来源：

INORGANIC CHEMISTRY | 2012年 / 51卷 / 11期

关键词：

DENSITY-FUNCTIONAL METHODS; AB-INITIO; ELECTRONIC-STRUCTURE; BASIS-SETS; NITRIDE COMPLEXES; CRYSTAL-STRUCTURE; ACTINYL IONS; CHEMISTRY; ENERGY; APPROXIMATION;

D O I：

10.1021/ic300273d

中图分类号：

O61 [无机化学];

学科分类号：

070301 ; 081704 ;

摘要：

An inverse trans influence has been observed in a high-valent U(V) imide complex, [(((ArO)-Ar-Ad)(3)N)U(NMes)]. A thorough theoretical evaluation has been employed in order to corroborate the ITI in this unusual complex. Computations on the target complex, [(((ArO)-Ar-Ad)(3)N)U(NMes)], and the model complexes [(((ArO)-Ar-Me)(3)N)U(NMes)] and [(NMe3)(OMe2)(OMe)(3)U(NPh)] are discussed along with synthetic details and supporting spectroscopic data. Additionally, the syntheses and full characterization data of the related U(V) trimethylsilylimide complex [(((ArO)-Ar-Ad)(3)N)U(NTMS)] and U(IV) azide complex [(((ArO)-Ar-Ad)(3)N)U(N-3)] are also presented for comparison.

引用

页码：6190 / 6199

页数：10

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