A new structural technique for examining ion-neutral association in aqueous solution
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61388963%3A_____%2F13%3A00391518" target="_blank" >RIV/61388963:_____/13:00391518 - isvavai.cz</a>
Result on the web
<a href="http://dx.doi.org/10.1039/c2fd20081c" target="_blank" >http://dx.doi.org/10.1039/c2fd20081c</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1039/c2fd20081c" target="_blank" >10.1039/c2fd20081c</a>
Alternative languages
Result language
angličtina
Original language name
A new structural technique for examining ion-neutral association in aqueous solution
Original language description
The method of intramolecular coordination number concentration invariance (ICNCI) is used on neutron diffraction with isotopic substitution (NDIS) measurements of aqueous solutions to separate the intra-and intermolecular contributions to the total intensities. Molecular dynamics simulations of corresponding systems are then used to interpret the ICNCI function. It is found that the ICNCI function (characterized by two concentration measurements) is sensitive specifically to intermolecular association and that the molecular dynamics can successfully replicate this function in the cases of the neutral species xylose and pyridine in aqueous solution. ICNCI functions can also be obtained by the addition of a cosolute (such as adding GdmCl or Gdm(2)SO(4) to pyridine solutions). In that case it is found that molecular dynamics can replicate the ICNCI function for the addition of GdmCl to pyridine, but fails to successfully replicate the same function for the addition of Gdm(2)SO(4). This re
Czech name
—
Czech description
—
Classification
Type
J<sub>x</sub> - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)
CEP classification
CF - Physical chemistry and theoretical chemistry
OECD FORD branch
—
Result continuities
Project
—
Continuities
I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace
Others
Publication year
2013
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
Faraday Discussions
ISSN
1359-6640
e-ISSN
—
Volume of the periodical
160
Issue of the periodical within the volume
07 January
Country of publishing house
GB - UNITED KINGDOM
Number of pages
10
Pages from-to
161-170
UT code for WoS article
000313815400010
EID of the result in the Scopus database
—