1991
DOI: 10.1002/zaac.19915970113
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Ungewöhnliche H‐Brückenbindungen in Natriumhydroxidmonohydrat: Röntgen‐ und Neutronenbeugung an NaOH · H2O bzw. NaOD · D2O

Abstract: An NaOH · H2O wurde röntgenographisch die Atomanordnung einschließlich der H‐Lagen bestimmt und Neutronenbeugungsmessungen an feinkristallinem NaOD · D2O vergleichend ausgewertet: Die Verbindung kristallisiert in einer Schichtstruktur der Abfolge …︁ /O Na O O Na O/ …︁ verwandt zu der von Hydrargillit, Al(OH)3 mit …︁ /O 2/3 Al O O 2/3 Al O/ …︁. Zwischen Hydroxidionen als Akzeptoren und H2O‐Molekülen treten mäanderförmig eindimensional unendliche starke H‐Brücken auf mit d(O…︁O) = 2,66 Å und 2,69 Å. Diese li… Show more

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Cited by 16 publications
(4 citation statements)
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“…Na3 is in an octahedral environment of six H 2 O molecules (Figure ). The Na–O (2.361–2.618 Å), Na–S (2.856 Å) and Na–Cl (2.759–2.798 Å) bond lengths correspond to literature values and the bond angles show that all coordination polyhedra are strongly distorted from the ideal octahedral geometry (Table S2, Supporting Information). The strong distortion is also obvious from the values for the octahedral angle variance [σ θ ‹oct› 2 = 37.9710 (Na1), 43.1538 (Na2) and 56.6653 (Na3)] as well as of the mean quadratic elongation values [λ oct = 1.0186 (Na1), λ oct = 1.0149 (Na2), and λ oct = 1.0189 (Na3)] …”
Section: Resultssupporting
confidence: 68%
“…Na3 is in an octahedral environment of six H 2 O molecules (Figure ). The Na–O (2.361–2.618 Å), Na–S (2.856 Å) and Na–Cl (2.759–2.798 Å) bond lengths correspond to literature values and the bond angles show that all coordination polyhedra are strongly distorted from the ideal octahedral geometry (Table S2, Supporting Information). The strong distortion is also obvious from the values for the octahedral angle variance [σ θ ‹oct› 2 = 37.9710 (Na1), 43.1538 (Na2) and 56.6653 (Na3)] as well as of the mean quadratic elongation values [λ oct = 1.0186 (Na1), λ oct = 1.0149 (Na2), and λ oct = 1.0189 (Na3)] …”
Section: Resultssupporting
confidence: 68%
“…Phase identification and quantification were performed in TOPAS (v7, (Bruker AXS)). The Rietveld fits of the powder XRD patterns were carried out using TOPAS using literature NSA 4 and sodium hydroxide monohydrate 33 crystal structures with the atomic coordinates not refined. Note that the shapes of the reflections were calculated using the funda-mental parameters approach, and the instrumental factors were established with patterns obtained from NIST silicon (SRM 640D) and LaB 6 (SRM 660A) powders.…”
Section: X-ray Diffraction (Xrd)mentioning
confidence: 99%
“…The XRD-apparent phases are vertically offset, and the components are NSA, sodium hydroxide monohydrate, and a weak background component. The relative phase abundance was determined in TOPAS (v6) from Rietveld refinements using the literature crystal structures of NSA 4 and sodium hydroxide monohydrate 33 with the atomic coordinates not refined. The relative phase abundance of the crystalline components are 83% NSA and 17% sodium hydroxide monohydrate.…”
Section: Determination Of the Quadrupolar Line Shape Parameters For Amsamentioning
confidence: 99%
“…Bei ro È ntgenographisch und durch Neutronenstreuung ermittelten Absta È nden d(O±H/O±D) bei Hydroxiden [12] oder d(N±H/N±D) bei Metallamiden [13] ergeben sich deutlich gro È ûere Unterschiede. Letzterer durchaus bekannte Befund beruht auf der unterschiedlichen Beugung von Ro È ntgenstrahlung und Neutronen an Elektronen bzw.…”
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