CAl11: a molecular rotor with a quasi-planar tetracoordinate carbon

Author:

Bai Li-Xia1,Barroso Jorge2ORCID,Orozco-Ic Mesías3ORCID,Ortiz-Chi Filiberto4ORCID,Guo Jin-Chang1ORCID,Merino Gabriel2ORCID

Affiliation:

1. Nanocluster Laboratory, Institute of Molecular Science, Shanxi University, Taiyuan 030006, China

2. Departamento de Física Aplicada, Centro de Investigación y de Estudios Avanzados, Unidad Mérida. Km 6 Antigua Carretera a Progreso. Apdo. Postal 73, Cordemex, 97310, Mérida, Yuc, Mexico

3. Department of Chemistry, Faculty of Science, University of Helsinki, P.O. Box 55, A. I. Virtasen aukio 1, FIN-00014, Helsinki, Finland

4. CONACYT-División Académica de Ciencias Básicas, Universidad Juárez Autónoma de Tabasco, Cunduacán 86690, Tabasco, Mexico

Abstract

The global minimum of CAl11 is formed by two stacked layers, one of them resembles the well-known planar tetracoordinate carbon CAl4 on top of a hexagonal Al@Al6 wheel. The CAl4 fragment rotates freely around the central axis with a negligible barrier.

Funder

National Natural Science Foundation of China

Natural Science Foundation of Shanxi Province

Publisher

Royal Society of Chemistry (RSC)

Subject

Materials Chemistry,Metals and Alloys,Surfaces, Coatings and Films,General Chemistry,Ceramics and Composites,Electronic, Optical and Magnetic Materials,Catalysis

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