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Showing results for K. lemouchi
Your search for K. Limouchi retrieved no results
Structure, Bonding, and Stability of Mercury Complexes with Thiolate and Thioether Ligands from High-Resolution XANES Spectroscopy and First-Principles Calculations.
Manceau A, Lemouchi C, Rovezzi M, Lanson M, Glatzel P, Nagy KL, Gautier-Luneau I, Joly Y, Enescu M. Manceau A, et al. Inorg Chem. 2015 Dec 21;54(24):11776-91. doi: 10.1021/acs.inorgchem.5b01932. Epub 2015 Dec 10. Inorg Chem. 2015. PMID: 26651871
Thus, Hg in NOM has two strong bonds to thiol S and k additional weak Hg...S contacts, or 2 + k coordination. The calculated stabilization energy is -5 kcal/mol per RSR ligand. ...
Thus, Hg in NOM has two strong bonds to thiol S and k additional weak Hg...S contacts, or 2 + k coordination. The calculated s …
Design and evaluation of a crystalline hybrid of molecular conductors and molecular rotors.
Lemouchi C, Mézière C, Zorina L, Simonov S, Rodríguez-Fortea A, Canadell E, Wzietek P, Auban-Senzier P, Pasquier C, Giamarchi T, Garcia-Garibay MA, Batail P. Lemouchi C, et al. J Am Chem Soc. 2012 May 9;134(18):7880-91. doi: 10.1021/ja301484b. Epub 2012 Apr 25. J Am Chem Soc. 2012. PMID: 22500581 Free article.
We showed that neutral BABCO groups have a rotational frequency of 120 GHz at 300 K with a rotational barrier of 2.03 kcal mol(-1). Rotors on the BABCO(-) sites experience stochastic 32 GHz jumps at the same temperature over a rotational barrier of 2.72 kcal mol(-1). ...Tw …
We showed that neutral BABCO groups have a rotational frequency of 120 GHz at 300 K with a rotational barrier of 2.03 kcal mol(-1). R …
Nanoscale rotational dynamics of four independent rotators confined in crowded crystalline layers.
Rodríguez-Fortea A , Canadell E , Wzietek P , Lemouchi C , Allain M , Zorina L , Batail P . Rodríguez-Fortea A , et al. Nanoscale. 2020 Apr 21;12(15):8294-8302. doi: 10.1039/d0nr00858c. Epub 2020 Apr 1. Nanoscale. 2020. PMID: 32236227
We report a study where Car-Parrinello molecular dynamics simulations and variable-temperature (30-300 K) (1)H spin-lattice relaxation time experiments nicely complement each other to characterize the dynamics within a set of four crystalline 1,4-diethynylbicyclo[2.2.2]oct …
We report a study where Car-Parrinello molecular dynamics simulations and variable-temperature (30-300 K) (1)H spin-lattice relaxatio …
Static Modulation Wave of Arrays of Halogen Interactions Transduced to a Hierarchy of Nanoscale Change Stimuli of Crystalline Rotors Dynamics.
Simonov S, Zorina L, Wzietek P, Rodríguez-Fortea A, Canadell E, Mézière C, Bastien G, Lemouchi C, Garcia-Garibay MA, Batail P. Simonov S, et al. Nano Lett. 2018 Jun 13;18(6):3780-3784. doi: 10.1021/acs.nanolett.8b00956. Epub 2018 May 10. Nano Lett. 2018. PMID: 29737859 Free article.
Here we present a study where what can be seen as a static modulation wave encompassing four successive arrays of interacting iodine atoms in crystalline 1,4-Bis((4'-(iodoethynyl)phenyl) ethynyl)bicyclo[2,2,2]octane rotors changes the structure from one-half molecule to three-and …
Here we present a study where what can be seen as a static modulation wave encompassing four successive arrays of interacting iodine atoms i …
Crystalline arrays of pairs of molecular rotors: correlated motion, rotational barriers, and space-inversion symmetry breaking due to conformational mutations.
Lemouchi C, Iliopoulos K, Zorina L, Simonov S, Wzietek P, Cauchy T, Rodríguez-Fortea A, Canadell E, Kaleta J, Michl J, Gindre D, Chrysos M, Batail P. Lemouchi C, et al. J Am Chem Soc. 2013 Jun 26;135(25):9366-76. doi: 10.1021/ja4044517. Epub 2013 Jun 14. J Am Chem Soc. 2013. PMID: 23725407
The rod-like molecule bis((4-(4-pyridyl)ethynyl)bicyclo[2.2.2]oct-1-yl)buta-1,3-diyne, 1, contains two 1,4-bis(ethynyl)bicyclo[2.2.2]octane (BCO) chiral rotators linked by a diyne fragment and self-assembles in a one-dimensional, monoclinic C2/c centrosymmetric structure where tw …
The rod-like molecule bis((4-(4-pyridyl)ethynyl)bicyclo[2.2.2]oct-1-yl)buta-1,3-diyne, 1, contains two 1,4-bis(ethynyl)bicyclo[2.2.2]octane …
Ultra-fast rotors for molecular machines and functional materials via halogen bonding: crystals of 1,4-bis(iodoethynyl)bicyclo[2.2.2]octane with distinct gigahertz rotation at two sites.
Lemouchi C, Vogelsberg CS, Zorina L, Simonov S, Batail P, Brown S, Garcia-Garibay MA. Lemouchi C, et al. J Am Chem Soc. 2011 Apr 27;133(16):6371-9. doi: 10.1021/ja200503j. Epub 2011 Apr 6. J Am Chem Soc. 2011. PMID: 21469644 Free article.
Variable temperature single crystal X-ray crystallography established the presence of a halogen-bonded network, characterized by lamellarly ordered layers of crystallographically unique BIBCO rotors, which undergo a reversible monoclinic-to-triclinic phase transition at 110 K …
Variable temperature single crystal X-ray crystallography established the presence of a halogen-bonded network, characterized by lamellarly …