ÿþ<!DOCTYPE html PUBLIC "-//W3C//DTD XHTML 1.0 Transitional//EN" "http://www.w3.org/TR/xhtml1/DTD/xhtml1-transitional.dtd"> <html lang="fr"> <head> <meta http-equiv="Content-Type" content="text/html; charset=utf-8" /> <title>Homepage of Alain Chaumont (Contact)</title> <link rel="stylesheet" type="text/css" href="stylesheet.css"> </head> <body> <div id="global"> <div id="header"> </div> <div id="center"> <div id="content"> <br><br> <h2> Ionic Liquids </h2> <img src="pics/Title_Chap4.jpeg" width="320" height="240" vspace="2" hspace="15" align="left"> <td width="95%"> <div>Room temperature ionic liquids (IL) are salts which are generally composed of  bulky organic cations, such as imidazolium XMI<sup>+</sup>, and inorganic anions, such as PF<sub>6</sub><sup>-</sup>, Tf<sub>2</sub>N<sup>-</sup> and BF<sub>4</sub><sup>-</sup>. Due to their unusual physico-chemical properties they are emerging as a new class of solvents in the context of  green chemistry . Using molecular dynamics simulations we have studied, at a microscopic level, the structure of different ILs ([BMI][PF<sub>6</sub>], [EMI][TCA], [BMI][Tf<sub>2</sub>N] and [BMI][BF<sub>4</sub>]) as well as their solvation properties towards hard metallic cations Mn<sup>+</sup> (Eu<sup>3+</sup> and UO<sub>2</sub><sup>2+</sup>). The role of solvent ions, of counterions associated to M<sup>n+</sup> (e.g. triflates), of potential solvent impurities (e.g. chloride and fluoride anions), and of solvent humidity is analyzed in detail. Furthermore we have studied the solvation of halide anions, their complexation by a macrotricyclic host L<sup>4+</sup>, as well as the solvation of  hydrophobic spherical analogues of L<sup>4+</sup> in the  dry and  humid [BMI][PF<sub>6</sub>]. The structural and electrostatic properties of the interface between water and water non-miscible ILs, which are however more or less hygroscopic has although been investigated. Comparison of ILs with water or  classical organic solvents allows us to better understand the dual solvation properties (hydrophobic / hydrophilic solvation) of ILs.</div> </div> <div id="sidebar"> <br><br> <h3><a href="index.html" id="current">Back Home</a></h3> <h3> Research </h3> <div id="navcontainer"> <ul id="navlist"> <li id="active"><a href="AC_IL.html" id="current">Ionic Liquids</a></li> <li><a href="AC_Halide.html">Halide Complexation</a></li> <li><a href="AC_BR.html">Bacteriorhodopsin</a></li> <li><a href="AC_hGBP1.html">hGBP1</a></li> </ul> </div> <h3> Curriculum Vitae </h3> <div id="navcontainer"> <ul id="navlist"> <li id="active"><a href="AC_Career_History.html" id="current">Career History</a></li> <li><a href="AC_Publi.html">Publications</a></li> <li><a href="AC_Posters.html">Posters</a></li> <li><a href="AC_Invited_Talks.html">Invited Talks</a></li> <li><a href="AC_Cover.html">Cover Galery</a></li> <li><a href="AC_Prize.html">Prize Awards</a></li> <li><a href="AC_Contact.html">Contact</a></li> </ul> </div> </div> <div id="footer"> <p> &nbsp </p> </div> </div> </body> </html>