Document Detail

X-ray Raman scattering provides evidence for interfacial acetonitrile-water dipole interactions in aqueous solutions.
MedLine Citation:
PMID:  22047254     Owner:  NLM     Status:  MEDLINE    
Aqueous solutions of acetonitrile (MeCN) have been studied with oxygen K-edge x-ray Raman scattering (XRS) which is found to be sensitive to the interaction between water and MeCN. The changes in the XRS spectra can be attributed to water directly interacting with MeCN and are reproduced by density functional theory calculations on small clusters of water and MeCN. The dominant structural arrangement features dipole interaction instead of H-bonds between the two species as revealed by the XRS spectra combined with spectrum calculations. Small-angle x-ray scattering shows the largest heterogeneity for a MeCN to water ratio of 0.4 in agreement with earlier small-angle neutron scattering data.
Ningdong Huang; Dennis Nordlund; Congcong Huang; Uwe Bergmann; Thomas M Weiss; Lars G M Pettersson; Anders Nilsson
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Publication Detail:
Type:  Journal Article; Research Support, N.I.H., Extramural; Research Support, Non-U.S. Gov't; Research Support, U.S. Gov't, Non-P.H.S.    
Journal Detail:
Title:  The Journal of chemical physics     Volume:  135     ISSN:  1089-7690     ISO Abbreviation:  J Chem Phys     Publication Date:  2011 Oct 
Date Detail:
Created Date:  2011-11-03     Completed Date:  2012-02-27     Revised Date:  2013-06-27    
Medline Journal Info:
Nlm Unique ID:  0375360     Medline TA:  J Chem Phys     Country:  United States    
Other Details:
Languages:  eng     Pagination:  164509     Citation Subset:  IM    
Stanford Synchrotron Radiation Lightsource, P.O.B. 20450, Stanford, California 94309, USA.
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MeSH Terms
Acetonitriles / chemistry*
Hydrogen Bonding
Scattering, Small Angle
Spectrum Analysis, Raman* / methods
Water / chemistry*
X-Ray Diffraction
Reg. No./Substance:
0/Acetonitriles; 7732-18-5/Water; Z072SB282N/acetonitrile

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