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SUMMARY:FTIR Study Of Weak O(H)···F Hydrogen Bonds In Crystalline Metal 
 Salt Hydrates Of The B12F122− Superweak Anion
LOCATION:Chemistry A101
TZID:America/Denver
DTSTART:20194001T000000
UID:2026-05-03-15-56-08@natsci.colostate.edu
DTSTAMP:20260503T155608
Description:Research Seminar Abstract\n\nThe ν(OH) peaks in solid-state FT
 IR spectra of compounds with OH groups or H2O molecules undergo significan
 t changes when the OH group(s) participate in hydrogen bonding. Typical ch
 anges are (i) red shifts of the peak position(s) by up to hundreds of cmâˆ
 ’1\, (ii) broadening of the peak(s) by up to hundreds of cm−1\, and (iii
 ) a ten-fold or greater increase in the integrated intensity of the peak(s
 ). In typical metal salt hydrates\, the νasym(OH) and νsym(OH) peaks are
  usually so broad at room temperature that they overlap\, and the ν(OH) r
 egion is usually not discussed in detail (e.g.\, Cu(H2O)4(SO4)·H2O and Mg
 (H2O)6(BF4)\, see below\; the red arrows indicate the positions of the ν(
 OH) peaks for H2O(g)). In this presentation I will show that this region c
 an contain a wealth of information about the relative strengths of hydroge
 n bonds in metal salt hydrates when the water molecules are only weakly hy
 drogen bonded to the anion. Salt hydrates of very weakly-coordinating anio
 ns such as PF6−\, B12F122−\, and Al(OC(CF3)3)4−\, but not BF4−\, h
 ave very sharp ν(OH) peaks (FWHM = 5‒30 cm−1) with small red shifts. 
 This allows comparisons of the relative hydrogen bond strengths of coordin
 ated H2O molecules as a function of metal cation\, as a function of weakly
 -coordinating fluoroanion\, or as a function of different O(H)···F dist
 ances in the same compound. These comparisons rely on an analysis of FTIR 
 spectra of isotopically-dilute deuterated samples that contain only one Oâ
 €“D oscillator (e.g.\, Co(HOD)(H2O)(B12F12)) per formula unit. 4:00 pm
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