Abstract
Experimental scenario of the world being successful in planting water molecule at binary level in fullerene C70 is of utmost importance to pursue the theoretical properties of predictive triple water molecules and poly water molecules in Vander Waals confined space like fullerenes. Here, we present a paper in these lines of exploration of embedding triple water molecules in a Carbon confined space through the studies of behavior of three water molecules in Fullerene C60 by ab-initio methods. This heterogeneous system manifests cyclic hydrogen bonds which may be working with flipping actions. The unusual structural property of water trimers is reported. There exists a dipole moment of 0.9 ± 0.1 Debye which indicates the probable semiconductor properties.
Highlights
Water in liberal space expresses bond formation exclusively directed by orbital interaction of oxygen and independent dual hydrogen atoms
Experimental scenario of the world being successful in planting water molecule at binary level in fullerene C70 is of utmost importance to pursue the theoretical properties of predictive triple water molecules and poly water molecules in Vander Waals confined space like fullerenes
We present a paper in these lines of exploration of embedding triple water molecules in a Carbon confined space through the studies of behavior of three water molecules in Fullerene C60 by ab-initio methods
Summary
Water in liberal space expresses bond formation exclusively directed by orbital interaction of oxygen and independent dual hydrogen atoms. Within the proximity of Vander Waals fields encapsulating the liberty of water molecules as in the case of Fullerene, its behavior tends to change forming Dimers, Trimers or Polymers. This is a matter of great interest. There were few successful attempts in the recent past, in which C70 Buckminster Fullerenes was injected with dual water molecules and observed its features. This pursuit was to increase the total charge available in the modulated fullerene with water and to achieve dipole movement of much higher than 0.5 Debye [6] realized through one water molecule encapsulation
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