Influence of Cooperativity on Hydrogen Bond Networks |
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| Authors: | Michel Masella Jean-Pierre Flament |
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| Institution: | 1. Service de Biochimie et de Biologie Moléculaire de l'H?pital Lariboisière , CR C. Bernard, IFR 6, 2 rue Ambroise Paré, 75475, Paris Cedex 10, France;2. Laboratoire de physique des lasers, atomes et molecules, CNRS (UMR 8523), Centre d'Etude et de Recherche Lasers et Applications, Université de Lille-1 , Bǎtiment P5, 59655, Villeneuve d'Ascq Cedex, France |
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| Abstract: | Abstract Cooperative effects are known to strongly affect the geometrical, energetic and vibrational properties of hydrogen bonded systems. In particular, such effects strongly favor molecular arrangements where each molecule is simultaneously a donor and an acceptor of hydrogen bonds (HBs), regardless of the chemical nature of the monomer subunits. In the particular case of water systems, it has been shown that the more a molecule is a proton donor in HBs, the more the HBs where it is a proton acceptor are reinforced. Such a property could be at the origin of the equilibrium between the two species of hydrogen bonded water molecules in liquid water (one with a strong hydrogen bonding character, and one with a weaker one), as experimentally evidenced and as a molecular dynamic study of the small (H2O)24 cluster clearly suggests. |
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| Keywords: | Hydrogen bonds cooperativity clusters |
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