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Current Analytical Chemistry

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

DOI: 10.2174/0115734110295420240314052821

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

Page: [549 - 556] Pages: 8

  • * (Excluding Mailing and Handling)

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.

Graphical Abstract

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