Novel non-spherical deltahedra in tritungstaboranes related to the experimentally known Cp*3W3(H)B8H8
Author:
Affiliation:
1. Department of Chemistry
2. Faculty of Chemistry and Chemical Engineering
3. Babeş-Bolyai University
4. Cluj-Napoca
5. Romania
6. Department of Chemistry and Center for Computational Quantum Chemistry
7. University of Georgia
8. Athens
9. USA
Abstract
Low-energy Cp3W3(H)Bn−3Hn−3 (Cp = η5-C5H5; n = 5 to 12) structures have central W3Bn−3 deltahedra with superimposed bonded W3 triangles. Five lowest-energy Cp3W3(H)B8H8 structures all have the same central W3B8 deltahedron as found in the experimental Cp*3W3(H)B8H8 (Cp* = η5-Me5C5) structure.
Funder
European Regional Development Fund
Publisher
Royal Society of Chemistry (RSC)
Subject
Materials Chemistry,General Chemistry,Catalysis
Link
http://pubs.rsc.org/en/content/articlepdf/2017/NJ/C7NJ01801K
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2. Novel non-spherical deltahedra in tetramolybdaborane structures: Generation of low-energy structures by capping Mo4B4 cubes;Polyhedron;2020-09
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