title: A photoelectron spectroscopic and theoretical study of B16- and B16(2-): an all-boron naphthalene.
abstract: The structure and chemical bonding of B16- were studied using ab initio calculations and photoelectron spectroscopy. Its global minimum is found to be a quasi-planar and elongated structure (C2h). Addition of an electron to B16- resulted in a perfectly planar and closed shell B16(2-) (D2h), which is shown to possess 10 pi electrons with a pi-bonding pattern similar to that of naphthalene and can thus be considered as an "all-boron naphthalene", a new member in the growing family of hydrocarbon analogues of boron clusters.
authors.affiliation: Department of Chemistry and Biochemistry, Utah State University, 0300 Old Main Hill, Logan, Utah 84322, USA.
authors.forename: Alina P
authors.initials: AP
authors.lastname: Sergeeva
authors.forename: Dmitry Yu
authors.initials: DY
authors.lastname: Zubarev
authors.forename: Hua-Jin
authors.initials: HJ
authors.lastname: Zhai
authors.forename: Alexander I
authors.initials: AI
authors.lastname: Boldyrev
authors.forename: Lai-Sheng
authors.initials: LS
authors.lastname: Wang