title: Unambiguous determination of the adsorption geometry of a metal--organic complex on a bulk insulator.
abstract: Individual molecules of Co-Salen, a small chiral paramagnetic metal--organic Schiff base complex, were deposited on NaCl(001) and subsequently imaged with noncontact atomic force microscopy employing Cr coated tips in a cryogenic ultrahigh vacuum environment. Images were obtained in which both the position and orientation of the adsorbed molecules and the atomic structure of the surface are resolved simultaneously, enabling the determination of the exact adsorption site. Density functional theory calculations were used to identify the ionic sublattice resolved with the Cr tip and also to confirm the adsorption site and orientation of the molecule on the surface. These calculations show that the central Co atom of the molecule physisorbs on top of a Cl ion and is aligned along 110-directions in its lowest energy configuration. In addition, a local energy minimum exists along 100-directions. Due to the chirality of the molecule, two mirror symmetric configurations rotated by approximately +/-5 degrees away from these directions are energetically equivalent. The resulting 16 low energy configurations are observed in the experimental images.
authors.affiliation: Institute of Applied Physics, University of Hamburg, Jungiusstrasse 11, 20355 Hamburg, Germany.
authors.forename: Knud
authors.initials: K
authors.lastname: Lämmle
authors.forename: Thomas
authors.initials: T
authors.lastname: Trevethan
authors.forename: Alexander
authors.initials: A
authors.lastname: Schwarz
authors.forename: Matthew
authors.initials: M
authors.lastname: Watkins
authors.forename: Alexander
authors.initials: A
authors.lastname: Shluger
authors.forename: Roland
authors.initials: R
authors.lastname: Wiesendanger