Journal ArticleDOI
The hydrogen bond system in natrochalcite-type compounds ? an FTIR spectroscopic study of the H3O2 unit
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TLDR
In this paper, the vibrational behavior of the hydrogen bond system of the H3O2 unit was studied with widely varying O-H...O distances in natrochalcite type compounds, MeCu2(H3O 2)(ZO4)2 (Me = Na, K; Z=S, Se).Abstract:
FTIR spectroscopy was used to study the vibrational behaviour of the hydrogen bond system of the H3O2 unit, present with widely varying O-H...O distances in natrochalcite-type compounds, MeCu2(H3O2)(ZO4)2 (Me = Na, K; Z=S, Se). Absorption bands of powder and polarized single-crystal spectra of non-deuterated and partially deuterated natrochalcite phases are assigned to stretching and bending modes of clearly divided OH− and H2O groups. These results are indicative for a not centro-symmetric configuration of the H3O2 unit and confirm the presence of a very strong hydrogen bond with a split hydrogen atom position.read more
Citations
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Correlation of O-H Stretching Frequencies and O-H O Hydrogen Bond Lengths in Minerals
TL;DR: In this article, a correlation of O-H stretching frequencies (from infrared spectroscopy) with O…O and H…O bond lengths (from structural data) of minerals was established.
Journal ArticleDOI
Synthetic Fe/Cu Complexes: Toward Understanding Heme-Copper Oxidase Structure and Function.
Suzanne M. Adam,Gayan B. Wijeratne,Patrick J. Rogler,Daniel E. Diaz,David A. Quist,Jeffrey Liu,Kenneth D. Karlin +6 more
TL;DR: This review encompasses important aspects of heme-O 2 and copper-O2 (bio)chemistries as they relate to the design and interpretation of small molecule model systems and provides perspectives from fundamental coordination chemistry, which can be applied to the understanding of HCO activity.
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The Structure of Hydrous Species in Nominally Anhydrous Minerals: Information from Polarized IR Spectroscopy
Eugen Libowitzky,Anton Beran +1 more
TL;DR: A review of the use of polarized infrared (IR) spectroscopy as it applies to detecting traces of hydrogen in minerals and to characterizing its speciation and structural environment in nominally anhydrous minerals can be found in this article.
Journal ArticleDOI
The incorporation of hydroxyl groups and molecular water in natural zircon (ZrSiO4)
TL;DR: In this article, the authors present three crystallographic models for probable locations of simple hydroxyl groups in crystalline zircon, most probably associated with Si-vacant tetrahedrons (O-H // c) or occupied SiO 4 tetrahedral structures without or with a closely neighbored Zirconium vacancy.
Journal ArticleDOI
Single-crystal IR spectroscopy of very strong hydrogen bonds in pectolite, NaCa2[Si3O8(OH)], and serandite, NaMn2[Si3O8(OH)]
TL;DR: In this article, an asymmetric O-H... O bond is confirmed in pectolite and serandite through comparison with different materials with similar, very strong hydrogen bonds and low-energy OH stretching modes.
References
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Infrared and Raman Spectra of Inorganic and Coordination Compounds
TL;DR: In this article, the normal modes of vibration are illustrated and corresponding vibrational frequencies are listed for each type, including diatomic, triatomic, fouratomic, five-atomic, six-atomic and seven-atomic types.
Journal ArticleDOI
On the quantum nature of the shared proton in hydrogen bonds
TL;DR: The relative influence of thermal and quantum fluctuations on the proton transfer properties of the charged water complexes H5O2+ and H3O2− was investigated with the use of ab initio techniques and found that quantum zero-point motion played a crucial role even at room temperature.