Hydroxide ions in condensed materials — Correlation of spectroscopic and structural data

Lutz, H. D.

doi:10.1007/bfb0036826

Cited by 155 publications

(35 citation statements)

References 95 publications

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“…Some selected studies have shown a strong correlation between OH stretching frequencies and both the O … O bond distances and the H … O hydrogen bond distances. [18][19][20][21] The elegant work of Libowitzky (1999) showed that a regression function can be employed relating the above correlations with regression coefficients better than 0.96 [22]. The function is ν 1 = 3592-304x109exp(-d(O-O)/0.1321) cm -1 .…”

Section: Resultsmentioning

confidence: 99%

Raman spectroscopy of halotrichite from Jaroso, Spain

Frost

Weier

Kloprogge

et al. 2005

Spectrochimica Acta Part A: Molecular and Biomolecular Spectros

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Section: Resultsmentioning

confidence: 99%

Raman spectroscopy of halotrichite from Jaroso, Spain

Frost

Weier

Kloprogge

et al. 2005

Spectrochimica Acta Part A: Molecular and Biomolecular Spectros

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“…The Raman spectra of likasite at 298 and 77 K are shown in Figure 1. The results of the spectroscopic analyses are reported in [17][18][19][20]. Recent work by the authors suggests that such an empirical function can be used for the hydroxyl stretching wavenumbers as determined by Raman spectroscopy.…”

Section: Resultsmentioning

confidence: 99%

Raman spectroscopy of likasite at 298 and 77K

Frost

Erickson

Weier

et al. 2005

Spectrochimica Acta Part A: Molecular and Biomolecular Spectros

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Copyright 2005 Elsevier AbstractRaman spectroscopy at 298 and 77 K has been used to study the structure of likasite, a naturally occurring basic copper(II)nitrate of formula Cu 3 NO 3 (OH) 5 .2H 2 O. An intense sharp band is observed at 3522 cm -1 at 298 K which splits into two bands at 3522 and 3505 cm -1 at 77 K and is assigned to the OH stretching mode. The two OH stretching bands at 3522 and 3505 provide estimates of the hydrogen bond distances of these units as 2.9315 and 2.9028 Å. The significance of this result is that equivalent OH units in the 298 K spectrum become two non-equivalent OH units at 77 K suggesting a structural change by cooling to liquid nitrogen temperature. A number of broad bands are observed in the 298 K spectrum at 3452, 3338, 3281 and 3040 cm -1 assigned to H 2 O stretching vibrations with estimates of the hydrogen bond distances of 2.8231, 2.7639, 2.7358 and 2.6436 Å. Three sharp bands are observed at 77 K at 1052, 1050 and 1048 cm -1 attributed to the ν 1 symmetric stretching mode of the NO 3 units. Only a single band at 1050 cm -1 is observed at 298 K, suggesting the nonequivalence of the NO 3 units at 77 K, confirming structural changes in likasite by cooling to 77 K.

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“…This means that the latter bond is strengthened at high temperatures, which is also revealed from the lack of positive temperature shift of the respective OH stretching mode (see Fig. 2) expected for linear hydrogen bonds (11). (The relatively large negative temperature shift of the OH stretch due to OH\ (I) (d -& /d¹(0) is caused by the trifurcated nature of that bond (11).)…”

Section: Strength Of the Hydrogen Bond H/d Isotopic Ewectsmentioning

confidence: 85%

“…2) expected for linear hydrogen bonds (11). (The relatively large negative temperature shift of the OH stretch due to OH\ (I) (d -& /d¹(0) is caused by the trifurcated nature of that bond (11).) The increase in hydrogen bond strength of OH\ (II) with increasing temperature is obviously the reason for the increased population of that OH\ position at high temperatures.…”

Section: Strength Of the Hydrogen Bond H/d Isotopic Ewectsmentioning

confidence: 95%