Saturday, January 7, 2017

Abstract-Evaluation of hydrogen-bonding distance in organic nonlinear optical crystals for high-output terahertz-wave generation

  • a Frontier Research Center for Applied Atomic Sciences, Ibaraki University, 162-1 Shirakata, Tokai, Ibaraki, 319-1106, Japan
  • b Institute of Material Structure Science, KEK Tokai, 203-1 Shirakata, Tokai, Ibaraki, 319-1106, Japan

The crystal structure of deuterated 4-dimethylamino-N-methyl-4-stilbazolium tosylate (DAST-d26) was obtained by powder X-ray and neutron diffraction measurements. The scattering length density distributions of deuterium atoms were successfully obtained from neutron diffraction data using the maximum-entropy method. From the density distributions, we estimated the hydrogen-bonding distances, which contribute significantly to the vibrational modes of DAST at 1 THz. Inhibition of these hydrogen bonds could allow the development of new nonlinear optical materials with low THz absorption.

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