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

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

Volume: 20 Issue: 8

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

Affiliation:

• EPR Laboratory, Department of Physics, University of Allahabad, Prayagraj, 211002, India

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.

Cite this article as:

Bharati Maroj, Singh Vikram and Kripal Ram*, Local Structure and Optical Studies of Mn²⁺ Doped L-histidine-4- nitrophenolate 4-nitrophenol Single Crystal, Current Analytical Chemistry 2024; 20 (8) . https://dx.doi.org/10.2174/0115734110295420240314052821