Publications

Published-

1. Heterometallic 3d–4f single molecule magnets containing diamagnetic metal ions. A. Chakraborty, J. Goura, P. Kalita, A. Swain, G. Rajaraman and V. Chandrasekhar, Dalton. Trans., 2018, 47, 8841-8864.

2. Slow Magnetic Relaxation and Single‐Molecule Toroidal Behaviour in a Family of Heptanuclear {CrLn6} (Ln=Tb, Ho, Er) Complexes  K. R. Vignesh, S. K. Langley, A. Swain, B. Moubaraki, M. Damjanović, W. Wernsdorfer, G. Rajaraman and K. S. Murray, Angew. Chem., 2018, 130, 787-792.

3. Slow Magnetic Relaxation in Dinuclear CoIIYIII Complexes,  J. Acharya, A. Swain, A. Chakraborty, V. Kumar, P. Kumar, J. F. Gonzalez, O. Cador, F. Pointillart, G. Rajaraman and V. Chandrasekhar, Inorg. Chem., 2019, 58, 10725-10735.

4. Phosphonate-assisted tetranuclear lanthanide assemblies: observation of the toroidic ground state in the Tb III analogue. S. Biswas, P. Kumar, A. Swain, T. Gupta, P. Kalita, S. Kundu, G. Rajaraman and V. Chandrasekhar, Dalton. Trans., 2019, 48, 6421-6434.

5. Role of Ab Initio Calculations in the Design and Development of Organometallic Lanthanide‐Based Single‐Molecule Magnets.  A. Swain, A. Sarkar and G. Rajaraman, Chem. Asian. J., 2019, 14, 4056-4073.

6. Lanthanoid pyridyl-β-diketonate ‘triangles’. New examples of single molecule toroics.  C. Caporale, A. N. Sobolev, W. Phonsri, K. S. Murray, A. Swain, G. Rajaraman, M. I. Ogden, M. Massi and R. O. Fuller, Dalton. Trans., 2020,  49, 17421-17432.

7. Are lanthanide-transition metal direct bonds a route to achieving new generation {3d–4f} SMMs?   A. Swain, A. Sen and G. Rajaraman, Dalton. Trans., 2021, 50, 16099-16109.

8. Enhancing the barrier height for magnetization reversal in 4d/4f Ru III2 Ln III2 “butterfly” single molecule magnets (Ln=  Gd, Dy) via targeted structural alterations  A. Swain, R. Martin, K. R. Vignesh, G. Rajaraman, K. S. Murray and S. K. Langley, Dalton. Trans., 2021, 50, 12265-74.

9. Tuning the Ferrotoroidic Coupling and Magnetic Hysteresis in Double‐Triangle Complexes {Dy3MIIIDy3} via the MIII‐linker  J. M. Ashtree, I. Borilović, K. R. Vignesh, A. Swain, S. H. Hamilton, Y. L. Whyatt, S. L. Benjamin, W. Phonsri, C. M. Forsyth, W. Wernsdorfer, A. Soncini, G. Rajaraman, S. K. Langley and  K. S. Murray European Journal of Inorganic Chemistry, 2021, 2021, 435-444.

10. Azide-coordination in homometallic dinuclear lanthanide (III) complexes containing nonequivalent lanthanide metal ions: zero-field SMM behavior in the dysprosium analogue P. Kumar, S. Biswas, A. Swain, J. Acharya, V. Kumar, P. Kalita, J. F. Gonzalez, O. Cador, F. Pointillart and G. Rajaraman, Inorg, Chem., 2021, 60, 12 , 8530-8545

11. Validation of Ab‐Initio‐Predicted Magnetic Anisotropies and Magneto‐structural Correlations in Linear Hetero‐trinuclear DyIII‐NiII2 Compounds.  P. Comba, M. Enders, M. Großhauser, M. Hiller, R. Klingeler, C. Koo, D. Müller, G. Rajaraman, A. Swain and M. Tavhelidse, Chemistry  (Weinheim an der Bergstrasse, Germany), 2021, 27, 9372-9382.

12. Enantiopure Polyradical Tetrahedral Pd12L6 Cages. P. Rajasekar, A. Swain, G. Rajaraman and R. Boomishankar, Chem. Eur. J., 2021, 27, 39, 10012-10015.

13. Quantifying magnetic anisotropy using X-ray and neutron diffraction.  E. A. Klahn, E. Damgaard-Møller, L. Krause, I. Kibalin, A. Gukasov, S. Tripathi, A. Swain, M. Shanmugam and J. Overgaard, IUCrJ, 2021, 8, 5, 833-841

14. Role of Coordination Geometry on the Magnetic Relaxation Dynamics of Isomeric Five-Coordinate Low-Spin Co (II) Complexes  L. Spillecke, S. Tripathi, C. Koo, A. Bahr, A. Swain, R. Halder, M. Ansari, J. Jasinski, G. Rajaraman, M. Shanmugam and R. Klingeler, Inorg. Chem., 2021, 61, 1, 317-327.

15. A Nonsymmetric Dy2 Single-Molecule Magnet with two Relaxation Processes Triggered by External Magnetic Field: Theoretical and Integrated       EPR study of the Role of Magnetic-Site Dilution, N. Lalioti, V. Nastopoulos, N. Panayiotou, A. Tasiopoulos, N. Ioannidis, J. V. Slageren, P. Zhang,     G. Rajaraman, A. Swain and V. Tangoulis , Dalton Trans. 2022, 51, 5, 1985-1994.

16. Solid-State Conformational Isomerism Lacking a Gas-Phase Energy Barrier: Its Structural, Spectroscopic, and    Theoretical  Identification in an Organochromium (III) Complex, H. Hansen, J. Krzystek, J. Telser, A. Swain, G. Rajaraman, H. Wadepohl  and M. Enders, Organometallics, 2022, 41, 12, 1558-1564. 

17. Synthesis, structure, and zero-field SMM behavior of homometallic Dy2, Dy4, and Dy6 complexes, P. Kumar, A. Swain, J. Acharya, Y.Li, V. Kumar, G. Rajaraman, E.Colacio and  V. Chandrasekhar, Inorg. Chem., 2022, 61, 30, 11600-11621.

18. Exploiting Strong {CrIII–DyIII} Ferromagnetic Exchange Coupling to Quench Quantum Tunneling of Magnetization in a Novel {CrIII2DyIII3} Single-Molecule Magnet, D. Chauhan, K. R Vignesh, A. Swain, S. K. Langley, K. S. Murray, M. Shanmugam and G. Rajaraman, Crys. Growth  & Design, 2022, 23, 1, 197-206. 

19. Strategies to quench quantum tunneling of magnetization in lanthanide single molecule magnets, A. Swain, T. Sharma and G. Rajaraman, Chem. Comm., 2023, 59, 22, 3206-3228.

20. The role of agostic interaction in the mechanism of ethylene polymerisation using Cr (III) half-sandwich complexes: What dictates the reactivity? T. R. K. Rana, A. Swain and G. Rajaraman, Dalton. Trans., 2023, 52, 34, 11826-11834

21. Fluxionality Modulating the Magnetic Anisotropy in Lanthanoarene [(ηCnRn)2Ln(II/III)] (n = 4–8) Single-Ion Magnets, A. Swain, R. K. Tiwari, M. Khatua and  G. Rajaraman, Inorg. Chem., 2023, 62, 24, 9552–9562.

22. Probing the Origins of Puzzling Reactivity in Fe/Mn–Oxo/Hydroxo Species toward C–H Bonds: A DFT and Ab Initio Perspective, A. Sen, A. Ansari, A. Swain, B. Pandey and G. Rajaraman, Inorg. Chem., 2023, 62, 37, 14931-14941.

23. Iron‐Catalyzed Intermolecular C‐H Amination Assisted by an Isolated Iron‐Imido Radical Intermediate, E. Zars, L. Pick, A. Swain, M. Bhunia, P. J. Carroll, D. Munz, K. Meyer and D. J. Mindiola, Angew. Chem. Int. Ed., 2023, e202311749

24. Pushing Boundaries in Single Molecule Magnets: An Ab Initio Perspective on Harnessing Unusual Oxidation States for Unprecedented Lanthanide SMM Performance, T. Sharma, A. Swain and G. Rajaraman, ChemRXiv

Submitted and Under Revision- 

1) Enhancing Blocking Temperatures in {CrIII2DyIII2} Butterfly SMMs: Deciphering the Role of Exchange Interactions and Developing Magneto-Structural Maps, A . Swain, Y. Whyatt, D. Wielechowski, S. Benjamin, K. S. Murray, G. Rajaraman and S .K. Langley., Under Revision

2) Probing toroidal ground states with a 3d quantum spin sensor: towards ferrotoroidic antiferrotoroidic discrimination, K. Hymas, A. Soncini,  K. R. Vignesh,  A. Swain, S. L. Benjamin, W. Wernsdorfer, G.Rajaraman, S. K. Langley, and K. S. Murray, Under Revision

3) A Machine Learning Approach to Decipher the Origin of Magnetic Anisotropy in Three-Coordinate Cobalt Single-Ion Magnets, A. Swain, R. Rana, G. Banagar and G. Rajaraman, Under Revision