Circular cationic compounds B3Rgn+ of triangular ion B3+ trapping rare gases

Autor:	Zhang Ruiwen, LI Zhuozhe, LI Anyong
Rok vydání:	2017
Předmět:	010304 chemical physics Chemistry Inorganic chemistry Binding energy Cationic polymerization Aromaticity General Chemistry 010402 general chemistry 01 natural sciences 0104 chemical sciences Ion Crystallography Covalent radius Covalent bond 0103 physical sciences Chemical stability Bond energy
Zdroj:	Chemical Research in Chinese Universities. 33:958-964
ISSN:	2210-3171 1005-9040
DOI:	10.1007/s40242-017-7054-5
Popis:	The circular cationic compounds B3Rg n +(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 Ar—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.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::6e690a17298cdfc1dc9081ccc98ab11f https://doi.org/10.1007/s40242-017-7054-5 Zobrazit plný text záznamu Full text from SpringerLink