摘要
The circular cationic compounds B3Rgn＋（n= 1--3, Rg=He--Rn） formed by the electron-deficient aromatic ion B3＋ trapping rare gases were studied theoretically. The formed B-Rg bond has large bonding energy in the range of 60-209 kJ/mol, its length is close to the sum of covalent radii of B and Rg, for Ar-Rn. The analyses based on the natural bond orbitals and electron density topology show that the B-Rg bonds for A--Rn have strong covalent character. The geometric structures, binding energy, bond nature and thermodynamic stability of the boron-rare gas compounds show that these species for Ar-Rn may be experimentally available. Several different theoretical studies have demonstrated that these triangular cations are aromatic.
The circular cationic compounds B3Rgn＋（n= 1--3, Rg=He--Rn） formed by the electron-deficient aromatic ion B3＋ trapping rare gases were studied theoretically. The formed B-Rg bond has large bonding energy in the range of 60-209 kJ/mol, its length is close to the sum of covalent radii of B and Rg, for Ar-Rn. The analyses based on the natural bond orbitals and electron density topology show that the B-Rg bonds for A--Rn have strong covalent character. The geometric structures, binding energy, bond nature and thermodynamic stability of the boron-rare gas compounds show that these species for Ar-Rn may be experimentally available. Several different theoretical studies have demonstrated that these triangular cations are aromatic.
