Vibrational Spectroscopy of Cr+(NH3)n (n = 1–6) Reveals Coordination and Hydrogen-Bonding Motifs

2019 ◽  
Vol 123 (23) ◽  
pp. 4929-4936 ◽  
Author(s):  
Justine Kozubal ◽  
Tristan R. Heck ◽  
Ricardo B. Metz
Keyword(s):  
Hydrogen Bonding ◽  
Vibrational Spectroscopy

scholarly journals Structure and vibrational spectroscopy of methanesulfonic acid

2018 ◽  
Vol 5 (12) ◽  
pp. 181363 ◽  
Author(s):  
Lisha Zhong ◽  
Stewart F. Parker
Keyword(s):  
Density Functional Theory ◽  
Hydrogen Bonding ◽  
Vibrational Spectroscopy ◽  
Density Functional ◽  
Inelastic Neutron Scattering ◽  
Linear Chain ◽  
Methanesulfonic Acid ◽  
Chain Structure ◽  
Trifluoromethanesulfonic Acid ◽  
Functional Theory

In this work, we have used a combination of vibrational spectroscopy (infrared, Raman and inelastic neutron scattering) and periodic density functional theory to investigate the structure of methanesulfonic acid (MSA) in the liquid and solid states. The spectra clearly show that the hydrogen bonding is much stronger in the solid than the liquid state. The structure of MSA is not known; however, mineral acids typically adopt a chain structure in condensed phases. A periodic density functional theory (CASTEP) calculation based on the linear chain structure found in the closely related molecule trifluoromethanesulfonic acid gave good agreement between the observed and calculated spectra, particularly with regard to the methyl and sulfonate groups. The model accounts for the large widths of the asymmetric S-O stretch modes; however, the external mode region is not well described. Together, these observations suggest that the basic model of four molecules in the primitive unit cell, linked by hydrogen bonding into chains, is correct, but that MSA crystallizes in a different space group than that of trifluoromethanesulfonic acid.

Investigation of hydrogen bonding in p-sulfonatocalix[4]arene and its thermal stability by vibrational spectroscopy

2019 ◽  
Vol 1195 ◽  
pp. 403-410 ◽  
Author(s):  
V.L. Furer ◽  
A.E. Vandyukov ◽  
A.R. Khamatgalimov ◽  
S.R. Kleshnina ◽  
S.E. Solovieva ◽  
...  
Keyword(s):  
Thermal Stability ◽  
Hydrogen Bonding ◽  
Vibrational Spectroscopy
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