Symmetry analysis of Raman spectra of crystals based on angular dependencies

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Abstract

Suggested a method to reconstruct the Raman scattering tensor by studying the angular dependences of Raman line intensities in tiny unoriented microcrystals. The method was verified on well-known calomel Hg2Cl2 model crystals. The spectral line phase-indicators in the Raman spectra reveal different symmetry types of DUT-8 (Ni) metal-organic framework crystals in the open pores and closed pores phases. A technique can be used to reconstruct the Raman scattering tensor of any unoriented crystalline samples.

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About the authors

E. V. Golovkina

Federal Research Center Krasnoyarsk Science Center of the Siberian Branch of the Russian Academy of Sciences

Email: shusy@iph.krasn.ru

Kirensky Institute of Physics

Russian Federation, Krasnoyarsk

S. N. Krylova

Federal Research Center Krasnoyarsk Science Center of the Siberian Branch of the Russian Academy of Sciences

Email: shusy@iph.krasn.ru

Kirensky Institute of Physics

Russian Federation, Krasnoyarsk

A. N. Vtyurin

Federal Research Center Krasnoyarsk Science Center of the Siberian Branch of the Russian Academy of Sciences; Siberian Federal University

Email: shusy@iph.krasn.ru

Kirensky Institute of Physics

Russian Federation, Krasnoyarsk; Krasnoyarsk

A. S. Krylov

Federal Research Center Krasnoyarsk Science Center of the Siberian Branch of the Russian Academy of Sciences

Author for correspondence.
Email: shusy@iph.krasn.ru

Kirensky Institute of Physics

Russian Federation, Krasnoyarsk

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Supplementary files

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2. Fig. 1. Angular dependences of polarized spectra of Hg2Cl2 in the case of parallel (HH) (a) and crossed (HV) (b) polarizations for the lines 40 cm−1 and 167 cm−1 and the lines 137 cm−1 and 275 cm−1.

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3. Fig. 2. Raman spectra for open and closed phases of DUT-8(Ni).

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4. Fig. 3. Angular dependences of polarized spectra of DUT-8(Ni) for a) parallel (HH) and b) crossed (HV) positions of the analyzer and polarizer in polar coordinates.

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5. Fig. 4. Theoretically constructed dependences of the vibration intensities on the angle β∗ for the DUT-8(Ni)_op structure of C4h symmetry, a) Bg-type vibrations; b) A1g-type vibrations; in parallel and crossed polarizations.

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