Li₂B₂₄: the simplest combination for a three-ring boron tube

Abstract

Herein we introduce a strategy employing lithium atoms as a scaffold to stabilize an embryo for boron tubes.

New theoretical insight into high coordination number complexes in actinides-centered borane

“…The current highest coordination number in molecular chemistry is 17, which has been seen theoretically found in An(He) 17 q+ , 1 although before that theoretical studies have suggested the 15 coordination numbers in PbHe 15 + and 16 in the Friauf-Laves phases MgZn 2 or MgNi 2 , and 16 in M@Li 16 (M=Ca, Sr, Ba, Ti, Zr, and Hf). 2 And the record of high coordination complexes involving the metal elements has been updated from 14 in U(BH 4 ) 4 , 3 4 and recently to 16 in CoB 16 by Popov et al. 5 These observations show that boron and borane possessing strong bonding capacity have led to a vast variety of molecular structures in chemistry and materials science and to provide suitable coordination environment and possibilities to achieve a larger dopedboron clusters with high coordination number.…”

“…Although the reported M@B 24 resemble the cage structure, whether its lowest energy structure forms a fullerene-like is still under-debatable. 16 Interestingly, solid-state PuB 12 compound, a cage-like endohedral fullerene B 24 unit seizes Pu element, arising motivating questions, such as what is the main reason for maintaining the cage structure, and what is electronic structure of Pu, or of other actinide elements. On the other hand, hydrogen-terminated boron clusters prefer stable and well-known borane cages to form 2D structures in bare boron clusters, 10c, 17 suggesting the possible existence of the closo (BH) 24 borane and derived endohedral complexes.…”

Actinides-Centered Borane Molecular Clusters with 24-Coordination Number in the An(BH)24 (An = Th to Cm)

“…The current highest coordination number in molecular chemistry is 17, which has been seen theoretically found in An(He) 17 q+ , 1 although before that theoretical studies have suggested the 15 coordination numbers in PbHe 15 + and 16 in the Friauf-Laves phases MgZn 2 or MgNi 2 , and 16 in M@Li 16 (M=Ca, Sr, Ba, Ti, Zr, and Hf). 2 And the record of high coordination complexes involving the metal elements has been updated from 14 in U(BH 4 ) 4 , 3 4 and recently to 16 in CoB 16 by Popov et al.…”

Triple‐ring tubular MB36 (M = Mg, Ca, Sr, Ba) with threefold aromaticity

“…A large number of studies have shown that metal modification can effectively compensate for the electron deficiency of boron and change the structures and properties of boron clusters [16‐33]. Joint photoelectron spectroscopy (PES) and first‐principles theory (FPT) investigations have shown that M©B n − (M = Co, Rh, Ir, Ru, Ta, Nb, n = 8–10) possess two dimensional (2D) wheels [16‐18].…”

“…Not only the type of the metals, the number of them also have significant influence on the structures of boron clusters [29‐33]. Two low‐lying isomers of binary Be 6 B 11 − : the coaxial triple‐layered cluster with structural fluxionality and helical cluster with multifold aromaticity, are anticipated to be co‐existence in the gas‐phase experiments [29].…”