Small chromium-doped silicon clusters CrSin: structures, IR spectra, charge effect, magnetism and chirality

Author:

Nguyen-Ha Bao-Ngan12ORCID,Pham Ngoc Thach3,Claes Pieterjan4,Lievens Peter4ORCID,Fielicke André5ORCID,Ngan Vu Thi3,Nguyen Minh Tho12ORCID,Janssens Ewald4ORCID

Affiliation:

1. Laboratory for Chemical Computation and Modeling, Institute for Computational Science and Artificial Intelligence, Van Lang University, Ho Chi Minh City, Vietnam

2. Faculty of Applied Technology, School of Technology, Van Lang University, Ho Chi Minh City, Vietnam

3. Laboratory of Computational Chemistry and Modeling (LCCM), Department of Chemistry, Faculty of Natural Sciences, Quy Nhon University, Quy Nhon, Vietnam

4. Quantum Solid State Physics, KU Leuven, Celestijnenlaan 200D, B-3001 Leuven, Belgium

5. Fritz-Haber-Institut der Max-Planck-Gesellschaft, Faradayweg 4-6, 14195 Berlin, Germany

Abstract

The structures of cationic CrSin+ (n = 6–10) clusters were determined by complementary experimental and computation work. Some of the clusters were found to have pairs of enantiomeric isomers.

Funder

Vingroup Innovation Fund

Onderzoeksraad, KU Leuven

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Reference77 articles.

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