Inducing polarity in [VO3]nn- chain compounds using asymmetric hydrogen-bonding networks
Journal of Solid State Chemistry
One centrosymmetric and a pair of polar noncentrosymmetric templated metavanadates were synthesized under mild hydrothermal conditions. Asymmetry in the hydrogen-bonding between either [(R)-C5H14N2]2+ or [(S)-C5H14N2]2+ and [VO3]nn- chains results in polar structures that exhibit type 1 phase-matching capabilities. Hirshfeld surfaces were used to probe the hydrogen-bonding networks and component and net dipole moments were calculated from atomic positions and iterative-Hirshfeld partial charges. --author-supplied description
Smith, M. D. ; Blau, S. M. ; Chang, K. B. ; Tran, T. T.; Zeller, M.; Halasyamani, P. S.; Schrier, J.; Nor quist, A. J. Inducing polarity in [VO 3 ] n n - chain compounds using asymmetric hydrogen - bonding networks. J. Solid State Chemistry 2012, 195, 86 - 93.