Reversible Single Crystal to Single Crystal Transformation through Fe−O(H)Me/Fe−OH₂ Bond Formation/Bond Breaking in a Gas−Solid Reaction at an Ambient Condition

Abstract

1A. Pictures of single crystals that were measured crystallographically:Compound 2: [Fe 3 ((µ 3 -O)(µ 2 -CH 3 COO) 6 (C 5 H 5 NO) 2 (H 2 O)] ClO 4 • 3H 2 O (C 5 H 5 NO) 2 (CH 3 OH)] ClO 4 • 3H 2 O Regenerated 1: [Fe 3 (µ 3 -O)(µ 2 -CH 3 COO) 6 (C 5 H 5 NO) 2 (H 2 O)] ClO 4 • 3H 2 OFigure S1. Photographs of the single crystals of compounds 1, 2 and Regenerated 1 S1 1B. Single crystal data collection: Crystal data for compounds 1, 2 and regenerated 1 were measured on a Bruker SMART APEX CCD area detector system [λ(Mo-Kα) = 0.71073 Å] at liquid nitrogen temperature, graphite monochromator with an ω scan width of 0.3 o , crystal-detector distance 60 mm, collimator 0.5 mm. Data reduction by SAINTPLUS (Software for the CCD Detector System, Bruker Analytical X-Ray Systems Inc., Madison, WI, 1998), an empirical absorption correction using equivalent reflections was performed with the program SADABS ( Sheldrick, G.

Supramolecular chemistry and crystal engineering

“…26 The methanolyated complex could be regenerated to the hydrate by exposure to atmospheric water vapour without colour loss or X-ray diffraction intensity in a reversible transformation. The reversibility of states was confirmed by IR on MeOH and MeOD complexes.…”

Reversible solid to solid transformation in a crystalline state gas–solid reaction under ambient conditions: Fe–N(pyridine) bond formation at the expense of Fe–OH2bond breaking and vice versa

“…10 The methanol coordinated complex 2, on exposure to atmospheric water vapor at room temperature, reverts back to parent water coordinated complex 1 as confirmed by single crystal X-ray crystallography and IR spectroscopy. 10 The methanol coordinated complex 2, on exposure to atmospheric water vapor at room temperature, reverts back to parent water coordinated complex 1 as confirmed by single crystal X-ray crystallography and IR spectroscopy.…”

Different coordination modes and supramolecular aggregations in copper(II) pentane-2,4-dionato compounds with 2-pyridone and 3-hydroxypyridine

“…The tautomeric equilibrium between lactam (2-pyridone) and lactim (2-hydroxypyridine) forms enables different coordination of this ligand via a nitrogen and/or oxygen donor atom [14][15][16]. The observed metal complexes with 2-pyridone [14,[17][18][19][20][21][22][23][24][25][26][27][28][29][30][31][32][33] show predominantly the lactam form in the solid state and in solution [16,34], but examples with the lactim form are also known for Pt, Ir, and Ru [35][36][37][38][39][40]. Different coordination modes of 2-pyridone and 3-hydroxypyridine can also have a distinctive influence on molecular arrangements in the solid state as a result of different non-covalent intermolecular interactions, because the 2-pyridone ligand can act as a hydrogen bond donor and acceptor, whereas 3-hydroxypyridine can act only as a hydrogen bond donor (Scheme 1).…”