Intermolecular Coupling of Water Molecules in Copper Chloride Dihydrate

Fifer, Robert A.; Schiffer, J.

doi:10.1063/1.1674802

Cited by 15 publications

(2 citation statements)

References 10 publications

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“…From Table 2, it can be seen that the values of corresponding anharmonicity constants of the bending modes for the appropriate isotopomers of the water molecules are very similar in all 4 isostructural compounds and are similar to those found in other crystalline hydrates [36]. However, it should be pointed out that the anharmonicity constants for Cs 2 [37].…”

supporting

confidence: 50%

Vibrational spectra of Cs2CaCl4·2H2O

Svonson

Šoptrajanov

Pejov

et al. 2011

Vibrational Spectroscopy

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supporting

confidence: 50%

Vibrational spectra of Cs2CaCl4·2H2O

Svonson

Šoptrajanov

Pejov

et al. 2011

Vibrational Spectroscopy

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“…[1][2][3][4][5][6][7][8][9] However, Raman studies, which are particularly complementary to IR spectra for those hydrates belonging to the C:, space group, have been reported only for C~C 1 2 . 2 H~0 .…”

Section: Introductionmentioning

confidence: 99%

Raman scattering and vibrational dynamics of MnCl₂·2H₂O

Srivastava¹,

Khandelwal²,

Bist³

1978

J Raman Spectroscopy

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The laser excited Raman spectrum of MnC12.2H20 has been reported in the 4000-150cm-' region and discussed in conjunction with the known IR spectra. The bands have been assigned to intend and librational modes of water and other lattice modes. It has been found that the correlation splitting parameter Av/v-.,, is distinctly larger for the librational modes than for the internal modes of water. The increase in intensity of the v 1 over the v, band of water in passing from the free to crystal water state and the low intensity of the librational bands have been explained.

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Gitterschwingungsspektren. XIX—infrarot‐ und Ramanspektren von BaBr₂·2H₂O und BaBr₂·2D₂O

Lutz

Pobitschka

Frischemeier

et al. 1978

J Raman Spectroscopy

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Low temperature infrared and raman spectra of polycrystalline BaBr2.2H20 at different degrees of deuteration are studied in the frequency range from 4000 to 30cm-'. The single peaks observed for the bending fundamentals of isotopically dilute H 2 0 and D20 show that the molecules of the water of crystallization are equivalent, as required by Bang's structure determination. The singlets observed for the three fundamentals of isotopically dilute HDO show that there is a symmetric force field in the water molecules which is not predicted from the structure determination. In BaBr2.2H20 weak hydrogen bonds to the bromine ions are present which are largely bent. From the shift of the stretching modes relative to the frequencies of free water the hydrogen bond entbalpy was found to be 20 kJ. The temperature shifts of all the stretching modes are positive, which is not in agreement with Falk's results on bent hydrogen bridges. The internal modes and the twisting libration of the water molecules show an unusual large correlation splitting due to intermolecular coupling of the vibrations of the two water molecules in the 2Br-.2H20 structure unit.Bariumbromid-Dihydrat kristallisiert in der monoklinen Raumgruppe C2/c mit vier Formeleinheiten in der Elementarzelle. '.' Die Kristallwassermolekule des BaBr2.2H20 sind kristallographisch aquivalent. Herausragende Baueinheiten sind Gruppen aus 2Br--Ionen und 2H2O-Molekiilen (vgl. Abb. 1). Die Wasserstoff atome der H20-Molekiile bilden schwache Wasserstoffbrucken zu den Br--Ionen der Baueinheit aus. Die OBr-Bindungsabstande, 325 und 331 pm, unterscheiden sich relativ stark; der BrOBr-Winkel ist mit 79,2" erheblich kleiner als der Bindungswinkel der Wassermolekule.Schwingungsspektroskopische Untersuchungen, iiber die im folgenden berichtet wird, zeigten jedoch, dal3 sich die Kristallwassermolekule (Lagesymmetrie CI) in einem Gitterpotential der Symmetrie CZv befinden. Dieser Befund und eine ungewohnlich grol3e intermolekulare Kopplung der Schwingungen der Kristallwassermolekule veranlal3ten uns, das IR-und Ramanspektrum des Bariumbromid-Dihydrats, die bisher nur sehr unvollstandig untersucht ~u r d e n ,~-~ naher zu analysieren. ERGEBNISSEDie Abzahlung der optischen Schwingungen ( k = 0) des BaBr2.2H20 zeigt Tabelle 1. Ramanaktiv slnd die Schwingungen der Rassen A , und B,, IR-aktiv die Schwingungen des Typs A , und B,. Die drei inneren Schwingungen (uasym, vsym,und 6 ) sowie die drei Librationen (& R,, R,] der Kristallwassermolekule treten in t XVIII. Mitt.: H. Haeuseler und H. D. Lutz, J. Solid State Chem.

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Intermolecular Coupling of Water Molecules in Copper Chloride Dihydrate

Cited by 15 publications

References 10 publications

Vibrational spectra of Cs2CaCl4·2H2O

Vibrational spectra of Cs2CaCl4·2H2O

Raman scattering and vibrational dynamics of MnCl₂·2H₂O

Gitterschwingungsspektren. XIX—infrarot‐ und Ramanspektren von BaBr₂·2H₂O und BaBr₂·2D₂O

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Intermolecular Coupling of Water Molecules in Copper Chloride Dihydrate

Cited by 15 publications

References 10 publications

Vibrational spectra of Cs2CaCl4·2H2O

Vibrational spectra of Cs2CaCl4·2H2O

Raman scattering and vibrational dynamics of MnCl2·2H2O

Gitterschwingungsspektren. XIX—infrarot‐ und Ramanspektren von BaBr2·2H2O und BaBr2·2D2O

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Raman scattering and vibrational dynamics of MnCl₂·2H₂O

Gitterschwingungsspektren. XIX—infrarot‐ und Ramanspektren von BaBr₂·2H₂O und BaBr₂·2D₂O