Author(s)

M. Baskar^1*, N. Sathyan^2,3, T. R. Gopalakrishnan Nair⁴

¹Central Forensic Science Laboratory, Directorate of Forensic Science Services, Chandigarh, India.
²RajaRajeswari College of Engineering, Visvesvaraya Technical University, Bangalore, India.
³Humanity and Science Department, KG Reddy College of Engineering & Technology, Moinabad, Telangana, India.
⁴RajaRajeswari Group of Institutions, Visvesvaraya Technical University, Bangalore, India.

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.

Endohedral, Fullerene C60, Ab-Initio, Water Trimer, Carbon Confined Space, Dipole

Baskar, M. , Sathyan, N. and Nair, T. (2018) Water Molecules in the Carbon C60 Confined Space. Journal of Biophysical Chemistry, 9, 15-21. doi: 10.4236/jbpc.2018.92002.