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Tailoring the properties of manganocene: formation of magnetic superalkali/superhalogen

  • Rakesh Parida
  • G. Naaresh Reddy
  • Ricardo Inostroza-RiveraEmail author
  • Arindam Chakraborty
  • Santanab GiriEmail author
Original Paper
  • 31 Downloads
Part of the following topical collections:
  1. QUITEL 2018 (44th Congress of Theoretical Chemists of Latin Expression)

Abstract

A new magnetic superalkali/superhalogen molecule based on the sandwich complex manganocene is reported. The hydrogen atoms of the cyclopentadienyl rings are periodically substituted with electron-donating and electron-withdrawing ligands (or both) to design substituted manganocene complexes. The substituted manganocene complexes exhibit the properties of superalkali and/or superhalogen depending on the nature of the substituents. The substituents, therefore, act as “switches” that can modify the properties of the parent manganocene moiety by keeping its magnetic nature intact. The substituted complexes also show marked nonlinear optical behavior.

Keywords

Superalkali Superhalogen NLO property DFT Manganocene 

Notes

Acknowledgments

This work is supported by Department of Science and Technology INSPIRE award no. IFA14-CH-151, Government of India. Recourses and computational facilities of National Institute of Technology Rourkela and DST SERB grant no: SB/FT/CS-002/2014 are also greatly acknowledged. RIR wishes to thank Fondo Interno de la VRIIP-UNAP, para el desarrollo de proyectos internos, VRIIP0112-18.

Supplementary material

894_2019_4100_MOESM1_ESM.docx (2.1 mb)
ESM 1 (DOCX 2109 kb)

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Copyright information

© Springer-Verlag GmbH Germany, part of Springer Nature 2019

Authors and Affiliations

  • Rakesh Parida
    • 1
  • G. Naaresh Reddy
    • 1
  • Ricardo Inostroza-Rivera
    • 2
    Email author
  • Arindam Chakraborty
    • 3
  • Santanab Giri
    • 4
    Email author
  1. 1.Department of ChemistryNational Institute of Technology RourkelaRourkelaIndia
  2. 2.Facultad de Ciencias de la SaludUniversidad Arturo PratIquiqueChile
  3. 3.Faculty of ScienceJatragachi Pranabananda High SchoolNew Town, KolkataIndia
  4. 4.School of Applied Sciences and HumanitiesHaldia Institute of TechnologyHaldiaIndia

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