Distance limits of OH...Y hydrogen bonds (Y = Cl, Br, I) in solid hydroxides, structure refinement of laurionite-type Ba(OD)I, Sr(OD)I and Sr(OH)I by neutron and synchrotron X-ray powder diffraction

Abstract

Synchrotron X-ray and neutron powder diffraction experiments on Sr(OH)I, Sr(OD)I and Ba(OD)I have been performed at ambient temperature. The structure data obtained by Rietveld refinement confirm the laurionite-type structure {Pnma, Z = 4; RI = 5.9, 7.9 and 7.8%; a = 7.7294 (1), b = 4.24697 (7) and c = 10.7374 (1) Å [Sr(OH)I]; a = 7.7303 (8), b = 4.2465 (4) and c = 10.7399 (10) Å [Sr(OD)I]; a = 8.0291 (9), b = 4.4961 (5) and c = 11.0196 (16) Å [Ba(OH)I]; a = 8.0203 (13), b = 4.4912 (7) and c = 11.0193 (14) Å [Ba(OD)I]} proposed from IR and Raman spectra. In contrast to the respective lead compound, only very weak hydrogen bonds are formed. The strength of the hydrogen bonds of OH− ions in condensed material is discussed with respect to intermolecular H...Y distances, furcation of the bonds and M—O bond lengths (synergetic effect). The longest H...Y distances (Y′ = Cl, Br, I), for which hydrogen bonds due to OH− have been established, are 2.80, 2.90 and 3.25 Å, respectively.

Synthesis and Characterization of the New Manganese Hydroxide Chloride γ‐Mn(OH)Cl

“…The restrained refinement of the O–H distance in γ‐Mn(OH)Cl results in the value of 82 pm with an interlayer O ··· Cl distance of 341 pm and an H ··· Cl distance of 275 pm. The latter value is close to the limit of 280 pm for hydrogen bonds of the type H ··· Cl proposed by Peter et al indicating that there are only weak attractive interactions between the layers.…”

Synthesis and Characterization of the Manganese Hydroxide Halides Mn(OH)X (X = Br, I) and Crystal Structure of trans‐MnBr2·4H2O

“…Besides structure determination, the hydroxide halides were also extensively studied in matters of their properties like vibrational and light absorption behavior , , . Lutz et al defined new distance limits for hydrogen bonds of the type O–H ··· X ( X = Cl, Br, I) while investigating the laurionite‐type hydroxide halides Sr(OH) X , Ba(OH) X , and their deuterated counterparts , . Generally, compounds of the type M (OH) X crystallize in structures related to the CdCl 2 (C19) structure type with a ccp stacking of the anions, or to the CdI 2 (C6) structure type exhibiting a hcp stacking of the anions.…”

Zur Kenntnis von Strontiumhydroxidchlorid und Strontiumhydroxidbromid - Darstellung, Kristallstrukturen, IR- und Raman-Spektren

“…Wa È hrend sich die Bariumverbindungen sowie Sr(OH)I als isotyp zu den Laurionittyp-Bleihydroxidhalogeniden (Raumgruppe Pnma) [5,6] mit dreifach u È berdacht trigonal prismatisch (5 X ± -und 4 OH ± -Ionen) koordinierten Metallionen erwiesen haben [2,3], kristallisiert die Calciumverbindung im Cd(OH)ClTyp (Raumgruppe P6 3 mc) [1,7] mit einfach u È berdacht oktaedrisch (4 Cl ± -und 3 OH ± -Ionen) koordinierten Metallionen [8]. Wasserfreies Strontiumhydroxidbromid, d. h. eine Verbindung der Zusammensetzung Sr(OH)Br, wurde erstaunlicherweise bisher nicht beschrieben ± das gleiche gilt fu È r Ca(OH)Br und Ca(OH)I ±, wa È hrend fu È r Sr(OH)Cl eine hexagonale Metrik vermutet wurde [9].…”