title: Terahertz vibrational properties of water nanoclusters relevant to biology.
abstract: Water nanoclusters are shown from first-principles calculations to possess unique terahertz-frequency vibrational modes in the 1-6 THz range, corresponding to O-O-O "bending," "squashing," and "twisting" "surface" distortions of the clusters. The cluster molecular-orbital LUMOs are huge Rydberg-like "S," "P," "D," and "F" orbitals that accept an extra electron via optical excitation, ionization, or electron donation from interacting biomolecules. Dynamic Jahn-Teller coupling of these "hydrated-electron" orbitals to the THz vibrations promotes such water clusters as vibronically active "structured water" essential to biomolecular function such as protein folding. In biological microtubules, confined water-cluster THz vibrations may induce their "quantum coherence" communicated by Jahn-Teller phonons via coupling of the THz electromagnetic field to the water clusters' large electric dipole moments.
authors.affiliation: Massachusetts Institute of Technology, 77 Massachusetts Ave., Cambridge, MA 02139 USA  ; HydroElectron Ventures Inc., 1303 Greene Avenue Suite 102, Westmount, QC H3Z 2A7 Canada.
authors.forename: Keith
authors.initials: K
authors.lastname: Johnson
keywords: Terahertz; Vibrational; Vibronic; Water clusters