Small tin cluster anions: transition from quasispherical to prolate structures.
The structures and energetics of small tin cluster Sn(n)(-) anions up to n=15 were determined by a combination of density-functional theory and three different experimental methods: Ion mobility spectrometry, trapped ion electron diffraction, and collision induced dissociation. We find compact, quasispherical structures up to n=12. Sn(12)(-) is a slightly distorted hollow icosahedron while Sn(13)(-) to Sn(15)(-) have prolate structures, consisting of merged, hollow, in part incomplete, deltahedral subunits: Sn(13)(-) consists of a face-sharing pentagonal bipyramid and tricapped trigonal bipyramid, Sn(14)(-) comprises a face-sharing dicapped trigonal prism and capped square-antiprism, and Sn(15)(-) consists of two face-sharing tricapped trigonal prisms.
Oger
Esther
E
Institut für Physikalische Chemie, Universität Karlsruhe, Kaiserstr. 12, 76128 Karlsruhe, Germany.
Kelting
Rebecca
R
Weis
Patrick
P
Lechtken
Anne
A
Schooss
Detlef
D
Crawford
Nathan R M
NR
Ahlrichs
Reinhart
R
Kappes
Manfred M
MM