title: Synthesis, structure, and properties of SrC(NH)3 , a nitrogen-based carbonate analogue with the trinacria motif.
abstract: Strontium guanidinate, SrC(NH)3 , the first compound with a doubly deprotonated guanidine unit, was synthesized from strontium and guanidine in liquid ammonia and characterized by X-ray and neutron diffraction, IR spectroscopy, and density-functional theory including harmonic phonon calculations. The compound crystallizes in the hexagonal space group P63 /m, constitutes the nitrogen analogue of strontium carbonate, SrCO3 , and its structure follows a layered motif between Sr(2+) ions and complex anions of the type C(NH)3 (2-) ; the anions adopt the peculiar trinacria shape. A comparison of theoretical phonons with experimental IR bands as well as quantum-chemical bonding analyses yield a first insight into bonding and packing of the formerly unknown anion in the crystal.
authors: Chair of Solid-State and Quantum Chemistry, Institute of Inorganic Chemistry, RWTH Aachen University, Landoltweg 1, 52056 Aachen (Germany) http://www.ssc.rwth-aachen.de.
authors: Ronja
authors: R
authors: Missong
authors: Chair of Solid-State and Quantum Chemistry, Institute of Inorganic Chemistry, RWTH Aachen University, Landoltweg 1, 52056 Aachen (Germany) http://www.ssc.rwth-aachen.de.
authors: Janine
authors: J
authors: George
authors: Chair of Solid-State and Quantum Chemistry, Institute of Inorganic Chemistry, RWTH Aachen University, Landoltweg 1, 52056 Aachen (Germany) http://www.ssc.rwth-aachen.de.
authors: Andreas
authors: A
authors: Houben
authors: Heinz Maier-Leibnitz Zentrum (MLZ), TU Munich, Lichtenbergstrasse 1, 85748 Garching (Germany).
authors: Markus
authors: M
authors: Hoelzel
authors: Chair of Solid-State and Quantum Chemistry, Institute of Inorganic Chemistry, RWTH Aachen University, Landoltweg 1, 52056 Aachen (Germany) http://www.ssc.rwth-aachen.de. drons@HAL9000.ac.rwth-aachen.de.
authors: Richard
authors: R
authors: Dronskowski
keywords: bonding theory; density-functional theory; guanidine; neutron diffraction; solid-state structures; strontium