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Updated: Dec 25, 2025

Probe Type II Band Alignment in One-Dimensional Van Der Waals Heterostructures Using First-Principles Calculations
Published on: October 12, 2019
Side-On Bonded Beryllium Dinitrogen Complexes
Guohai Deng1, Sudip Pan2,3, Guanjun Wang1
1Collaborative Innovation Center of Chemistry for Energy Materials, Department of Chemistry, Shanghai Key Laboratory of Molecular Catalysts and Innovative Materials, Fudan University, Shanghai, 200438, China.
Abstract:
The preparation and spectroscopic identification of the complexes NNBe(η2 -N2 ) and (NN)2 Be(η2 -N2 ) and the energetically higher lying isomers Be(NN)2 and Be(NN)3 are reported. NNBe(η2 -N2 ) and (NN)2 Be(η2 -N2 ) are the first examples of covalently side-on bonded N2 adducts of a main-group element. The analysis of the electronic structure using modern methods of quantum chemistry suggests that NNBe(η2 -N2 ) and (NN)2 Be(η2 -N2 ) should be classified as π complexes rather than metalladiazirines.
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