I. Tarannum; P. P. Sahu; S. Moorthy; S. Gupta; S. K. Singh* “Electronic structure, covalency and magnetic anisotropy in [AnCp₃] (An = Th–Cf) complexes: insights from first principle calculations” Chem. Asian J., 2025. (Just accepted)
S. Roy; T. Ghorui; D. Jana; S. C. Patra; S. Pramanik; S. Moorthy; S. K. Singh “Intramolecular redox‐driven synthesis of mono‐ and diradical iridium(III) complexes: insights into molecular and electronic structure, electrochemistry, and spin‐communication” Chem. Eur. J., 2025, 31, e202404027.
K. Kumari; S. Moorthy; S. K. Singh “Single-ion magnet behaviour in highly axial lanthanide mononitrides encapsulated in boron nitride nanotubes: a quantum chemical investigation” Dalton Trans., 2025.
S. Moorthy; I. Tarannum; K. Kumari; S. K. Singh* “A highly anisotropic family of hexagonal bipyramidal Dy(III) unsaturated 18-crown-6 complexes exceeding blockade barrier over 2700 K: a computational exploration” Dalton Trans., 2024. (HOT Article)
D. Shao; S. Moorthy; Y. L. Zhang; J. P. Shen; J. Yang; S. K. Singh; Y. Z. Zhang “Tuning magnetic anisotropy of four-coordinated cobalt(II) in chain complexes via varying organic linkers” Cryst. Growth Des., 2024, 24, 7202–7211.
A. Dey; J. Ali; S. Moorthy; J. F. Gonzalez; F. Pointillart*; S. K. Singh*; V. Chandrasekhar “Field-induced single ion magnet behavior in CoII complexes in a distorted square pyramidal geometry” Dalton Trans., 2023, 2022, 14807.
I. Tarannum; S. Moorthy; S. K. Singh* “Understanding electrostatics and covalency effects in highly anisotropic organometallic sandwich dysprosium complexes [Dy(CmRm)₂] (R = H, SiH₃, CH₃; m = 4–9): a computational perspective” Dalton Trans., 2023, 957, 15576.
A. Joshi; S. Moorthy; L. R. Chavada; S. K. Singh*; A. K. Pandey* “Ru(II)/Ru(IV) catalyzed C(sp²)-H allylation cum alkene difunctionalization to access isochroman-1-imines” Chem. Commun., 2023, 51, 9497.
T. Long; J. Yang; S. Moorthy; D. Shao*; S. K. Singh*; Y. Z. Zhang “Incorporating the highly anisotropic 4-coordinate Co(II) ions within one-dimensional coordination chains” Cryst. Growth Des., 2023, 51, 2980.
P. Kalita; N. Ahmed; S. Moorthy; V. Béreau; A. K. Bar; P. Nayak; J.-P. Sutter*; S. K. Singh*; V. Chandrasekhar “Slow magnetic relaxation in a homoaxially phosphine oxide coordinated pentagonal bipyramidal Dy(III) complex” Dalton Trans., 2023, 219, 2804.
X.-C. Huang*; W. Yong; S. Moorthy; Z.-Y. Su; J.-J. Kong; S. K. Singh “A pentagonal bipyramidal Co(II) single-ion magnet based on an asymmetric tetradentate ligand with easy plane anisotropy” Polyhedron, 2023, 24, 11265.
Y. Zhou; S. Moorthy; X.-Q. Wei*; S. K. Singh*; Z. Tian; D. Shao “A porous cobalt(II) single-ion magnet framework exhibiting high room temperature proton conductivity” Dalton Trans., 2023, 51, 909.
A. Chakrabarty; N. Ahmed; S. Moorthy; J. Ali; J. Gaura; S. K. Singh*; G. Rogez*; V. Chandrasekhar “Exchange-driven slow relaxation of magnetization in NiII₂LnIII₂ (Ln = Y, Gd, Tb, Dy) butterfly complexes: experimental and theoretical studies” Dalton Trans., 2022, 2022, 14721.
D. Shao*; S. Moorthy; P. Peng; W. J. Tang; L. Shi; Z.-J. Wang; X.-Q. Wei*; S. K. Singh* “A single-ion magnet tape with five-coordinate cobalt(II) centers” Eur. J. Inorg. Chem., 2022, 51, e202200354.
D. Shao*; S. Moorthy; Y. Zhou; S.-T. Wu; J.-Y. Zhu; J. Yang; D.-Q. Wu*; S. K. Singh* “Field-induced slow magnetic relaxation behaviours in binuclear cobalt(II) metallocycle and exchange-coupled cluster” Dalton Trans., 2022, 52, 9357.
Z. Tian; S. Moorthy; H. Xiang; P. Peng; M. You; Q. Zhang; S.-Y. Yang*; Y.-L. Zhang; D.-Q. Wu*; S. K. Singh*; D. Shao* “Tuning chain topologies and magnetic anisotropy in one-dimensional cobalt(II) coordination polymers via distinct dicarboxylates” CrystEngComm, 2022, 232, 3928.
G. S. Kumar; J. Bhattacharjee; K. Kumari; S. Moorthy; A. Bandyopadhyay*; S. K. Singh*; T. K. Panda* “Hydroboration of nitriles, esters, and amides catalyzed by simple neosilyllithium” Polyhedron, 2022, 52, 115784.
K. S. Das; S. Saha; B. Pal; A. Adhikary; S. Moorthy; S. Bala; S. Akhtar; P. K. Ghose; S. K. Singh*; P. P. Ray*; R. Mondal* “A Nd₆ molecular butterfly: a unique all-in-one material for SMM, MCE and maiden photosensitized opto-electronic device fabrication” Dalton Trans., 2022, 51, 1617.
D. Shao*; S. Moorthy; X. Y. Zhang; J. Yang; L. Shi; S. K. Singh*; Z.-F. Tian “Switching the structure and magnetic properties via distinct pyridine derivatives in cobalt(II) coordination polymers” Dalton Trans., 2022, 59, 695.
R. S. Chauhan*; S. Moorthy; A. Tyagi; R. J. Butcher; S. K. Singh* “Solvent assisted homoleptic tri- and tetranuclear nickel complex derived from [Ni₂(μ-SeC₅H₄N)₂(dppe)₂]²⁺ and theoretical studies” J. Organomet. Chem., 2022, 52, 122177.
G. S. Kumar; S. Moorthy; H. Karmakar; S. K. Singh*; T. K. Panda* “Neosilyllithium catalyzed hydroboration of alkynes and alkenes in presence of pinacolborane (HBpin)” Eur. J. Inorg. Chem., 2022, 52, e202100895.