Boron Teetotum: Metallic [Ti(B6CxNy)](q) and Bimetallic [Ti-2(B6CxNy)](q) Nine-Membered Heterocycles with x plus y=3 and-1 <= q <= 3

Pham-Ho, MP; Pharn, HT; Nguyen, MT

Nguyen, MT (reprint author), Ton Duc Thang Univ, Computat Chem Res Grp, Ho Chi Minh City 700000, Vietnam.; Nguyen, MT (reprint author), Ton Duc Thang Univ, Fac Appl Sci, Ho Chi Minh City 700000, Vietnam.; Nguyen, MT (reprint author), Katholieke Univ Leuve

JOURNAL OF PHYSICAL CHEMISTRY A, 2018; 122 (30): 6196

Abstract

We investigated the geometry, stability, and aromaticity of a series of singly and doubly titanium-doped boron clusters. Ti dopants bring in planar cy......

Full Text Link