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A single‐crystal Raman and infrared study of the nonlinear optical crystal MBANP by R. T. Bailey; F. R. Cruickshank; T. J. Dines; N. Sherwood; M. C. Tedford is a Chemistry article available to read on EtoBox.

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## Abstract Single‐crystal Raman and polycrystalline thin‐film infrared measurements have been obtained for the polar organic nonlinear optical material 2‐(α‐methylbenzylamino)‐5‐nitropyridine (MBANP). For comparison, thin‐film polycrystalline infrared measurements were also made on 2‐(α‐methylbenzylamino)‐3,5‐dinitropyridine (MBADNP). The long wavelength electronic absorption was measured in several solvents and as a thin solid film. The Raman spectra are dominated by three intense bands attributed to vibrations of the ring, the NO~2~ substituent, and the NH bond. The most intense scattering and absorption arose from the α~__bb__~ component of the polarisability tensor. This implies that the most significant contribution to the transition polarisability arises from the electronic transition near 383 nm, polarised along the __b__‐axis of the crystal. The strongest bands in the infrared spectra are also associated with the same three bands, consistent with the predictions of the effective conjugation coordinate (ECC) theory, implying efficient electron–phonon coupling (or electronic delocalisation) in the conjugated system. DFT calculations of vibrational wavenumbers and eigenvecto

Who reads A single‐crystal Raman and infrared study of the nonlinear optical crystal MBANP?

Author

R. T. Bailey; F. R. Cruickshank; T. J. Dines; N. Sherwood; M. C. Tedford

Publisher

John Wiley and Sons; Wiley (John Wiley & Sons); John Wiley & Sons Inc.; Wiley (ISSN 0377-0486)

Published

2010

Language

EN

Field

Chemistry (Physical Sciences)