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Current Analytical Chemistry

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ISSN (Online): 1875-6727

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Research Article

Local Structure and Optical Studies of Mn2+ Doped L-histidine-4- nitrophenolate 4-nitrophenol Single Crystal

Author(s): Maroj Bharati, Vikram Singh and Ram Kripal*

Volume 20, Issue 8, 2024

Published on: 02 April, 2024

Page: [549 - 556] Pages: 8

DOI: 10.2174/0115734110295420240314052821

Price: $65

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Abstract

Background: The zero-field splitting parameters of Mn2+ doped L-histidine-4- nitrophenolate 4-nitrophenol single crystals are evaluated.

Methods: The superposition model and perturbation theory are used to obtain zero-field splitting parameters for Mn2+ ion-doped LHPP single crystals. The optical spectra of the system are computed using the crystal field parameters from the superposition model as input into the crystal field analysis program.

Results: The evaluated zero field splitting parameters are in good match with the experimental values when local distortion is taken into account. The experimental finding that the Mn2+ ion enters the L-histidine-4-nitrophenolate 4-nitrophenol lattice at the interstitial position is supported by the theoretical result.

Conclusion: It is found that the calculated and experimental band positions agree fairly well. Thus, the theoretical study supports the experimental observation.

Keywords: Organic compounds, single crystal, crystal fields, electron paramagnetic resonance, zero field splitting.

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