Synthesis and characterization of the first 2 D neptunyl structure stabilized by side-on cation-cation interactions

Bess Vlaisavljevich; Pere Mirõ; Dongxia Ma; Ginger E. Sigmon; Peter C. Burns; Christopher J. Cramer; Laura Gagliardi

doi:10.1002/chem.201204149

Synthesis and characterization of the first 2 D neptunyl structure stabilized by side-on cation-cation interactions

Bess Vlaisavljevich, Pere Mirõ, Dongxia Ma, Ginger E. Sigmon, Peter C. Burns, Christopher J. Cramer, Laura Gagliardi

Chemistry (Twin Cities)

Research output: Contribution to journal › Article › peer-review

22 Scopus citations

Abstract

Cation-cation interaction: A new 2 D sheet structure containing a side-on cation-cation interaction (CCI) has been synthesized and characterized (see figure). Unprecedentedly, no chelating ligands between the cations are present. The nature of the side-on interaction and ligand effects has been explored by using a variety of quantum chemical methods. The spin-orbit-coupled ground state mixes singlet, triplet, and quintet-pure spin states.

Original language	English (US)
Pages (from-to)	2937-2941
Number of pages	5
Journal	Chemistry - A European Journal
Volume	19
Issue number	9
DOIs	https://doi.org/10.1002/chem.201204149
State	Published - Feb 25 2013

Keywords

actinides
cations
density functional calculations
neptunium

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10.1002/chem.201204149

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abstract = "Cation-cation interaction: A new 2 D sheet structure containing a side-on cation-cation interaction (CCI) has been synthesized and characterized (see figure). Unprecedentedly, no chelating ligands between the cations are present. The nature of the side-on interaction and ligand effects has been explored by using a variety of quantum chemical methods. The spin-orbit-coupled ground state mixes singlet, triplet, and quintet-pure spin states.",

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AU - Vlaisavljevich, Bess

AU - Mirõ, Pere

AU - Ma, Dongxia

AU - Sigmon, Ginger E.

AU - Burns, Peter C.

AU - Cramer, Christopher J.

AU - Gagliardi, Laura

PY - 2013/2/25

Y1 - 2013/2/25

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AB - Cation-cation interaction: A new 2 D sheet structure containing a side-on cation-cation interaction (CCI) has been synthesized and characterized (see figure). Unprecedentedly, no chelating ligands between the cations are present. The nature of the side-on interaction and ligand effects has been explored by using a variety of quantum chemical methods. The spin-orbit-coupled ground state mixes singlet, triplet, and quintet-pure spin states.

KW - actinides

KW - cations

KW - density functional calculations

KW - neptunium

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JO - Chemistry - A European Journal

JF - Chemistry - A European Journal

IS - 9

ER -

Synthesis and characterization of the first 2 D neptunyl structure stabilized by side-on cation-cation interactions

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