Formation of the quasi-planar B50boron cluster: topological path from B10and disk aromaticity | Zendy

Hung Tan Pham | Zendy; Jules Tshishimbi Muya | Zendy; Fernando Buendía | Zendy; Arnout Ceulemans | Zendy; Minh Tho Nguyen | Zendy

AI Assistant Blog Pricing

Home ZAIA Blog

Open Access

Formation of the quasi-planar B₅₀boron cluster: topological path from B₁₀and disk aromaticity

Author(s) -

Hung Tan Pham,

Jules Tshishimbi Muya,

Fernando Buendía,

Arnout Ceulemans,

Minh Tho Nguyen

Publication year - 2019

Publication title -

physical chemistry chemical physics

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 1.053

H-Index - 239

eISSN - 1463-9084

pISSN - 1463-9076

DOI - 10.1039/c9cp00735k

Subject(s) - boron , aromaticity , cluster (spacecraft) , path (computing) , planar , topology (electrical circuits) , crystallography , materials science , physics , chemistry , combinatorics , computer science , mathematics , molecule , nuclear physics , quantum mechanics , computer graphics (images) , programming language

The lowest-lying isomer of the B50 boron cluster is confirmed to have a quasi-planar shape with two hexagonal holes. By applying a topological (leap-frog) dual operation followed by boron capping, we demonstrated that such a quasi-planar structure actually comes from the smallest elongated B102-, and its high thermodynamic stability is due to its inherent disk aromaticity arising from its 32 valent π electrons that fully occupy a disk configuration of [(1σ)2(1π)4(1δ)4(2σ)2(1φ)4(2π)4(1γ)4(2δ)4(1η)4]. The aromatic character of the quasi-planar B50 is further supported by a strong diatropic magnetic current flow. The sudden appearance of a quasi-planar B50 again points out that the growth pattern of pure boron clusters is still far from being completely understood.

The content you want is available to Zendy users.

Already have an account? Click here to sign in.

Having issues? You can contact us here

Accelerating Research