X-Ray crystallographic and computational study on uranyl-salophen complexes bearing nitro groups

Valkonen Arto; Lombardo Giuseppe M.; Rissanen KariPunzo FrancescoCametti Massimo

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X-Ray crystallographic and computational study on uranyl-salophen complexes bearing nitro groups

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In the solid state, salophen-UO2 complexes bearing one, two, or three NO2 groups lack the pronounced ligand curvature that represents a structural hallmark for this class of compounds. A detailed structural study based on single-crystal X-ray crystallography and computational methods, comprising molecular dynamics, gas-phase Hartree Fock, and DFT calculations, was carried out to investigate the coordination properties of the uranyl cation.

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《Dalton transactions: An international journal of inorganic chemistry》 |2017年第16期|5240-5249|共10页
作者
Valkonen Arto; Lombardo Giuseppe M.; Rissanen KariPunzo FrancescoCametti Massimo;
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作者单位

Univ Jyvaskyla, Nanosci Ctr, Dept Chem, POB 35, Jyvaskyla 40014, Finland;

Univ Catania, Dipartimento Sci Farmaco, Sezione Chim, Viale Andrea Doria, I-695125 Catania, Italy;

Giulio Natta Politecn Milano, Dept Chem Mat & Chem Engn, Via Luigi Mancinelli 7, I-20131 Milan, Italy;

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正文语种英语
中图分类化学;无机化学;
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X-Ray crystallographic and computational study on uranyl-salophen complexes bearing nitro groups

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