Benchmarking lithium amide versus amine bonding by charge density and energy decomposition analysis arguments-Reference-Cited by-同舟云学术

Benchmarking lithium amide versus amine bonding by charge density and energy decomposition analysis arguments

Published:2018 Issue:12 Volume:9 Page:3111-3121
ISSN:2041-6520
Container-title:Chemical Science
language:en
Short-container-title:Chem. Sci.

Author:

Engelhardt Felix¹²³⁴,Maaß Christian¹²³⁴,Andrada Diego M.⁵⁶⁷⁴,Herbst-Irmer Regine¹²³⁴^ORCID,Stalke Dietmar¹²³⁴^ORCID

Affiliation:

1. Institut für Anorganische Chemie

2. Georg-August-Universität Göttingen

3. 37077 Göttingen

4. Germany

5. Krupp-Chair of General and Inorganic Chemistry

6. Universität des Saarlandes

7. 66123 Saarbrücken

Abstract

We investigated [{(Me₂NCH₂)₂(C₄H₂N)}Li]₂ (1) by means of experimental charge density calculations based on the quantum theory of atoms in molecules (QTAIM) and DFT calculations using energy decomposition analysis (EDA).

Funder

Danish National Research Foundation

Publisher

Royal Society of Chemistry (RSC)

Subject

General Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2018/SC/C7SC05368A

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