Synthesis and DFT calculations of oxido and phenylimido-rhenium(V) complexes incorporating the N, O donor ligand 2-[(2-hydroxyethylimino)methyl]phenol

2015 ◽  
Vol 69 (2) ◽  
pp. 303-317 ◽  
Author(s):  
Pinki Saha ◽  
Jnan Prakash Naskar ◽  
Arnab Bhattacharya ◽  
Rakesh Ganguly ◽  
Baptu Saha ◽  
...  
Keyword(s):  
Dft Calculations ◽  
Donor Ligand

Synthesis, characterization, crystal structure and density functional theory (DFT) calculations of dioxomolybdenum (VI) complexes of an ONS donor ligand derived from benzoylacetone and S-benzyl dithiocarbazate

Polyhedron ◽  
2013 ◽  
Vol 50 (1) ◽  
pp. 602-611 ◽  
Author(s):  
Manashi Chakraborty ◽  
Sathi Roychowdhury ◽  
Nikhil Ranjan Pramanik ◽  
Tapas Kumar Raychaudhuri ◽  
Tapan Kumar Mondal ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Density Functional Theory ◽  
Dft Calculations ◽  
Density Functional ◽  
Functional Theory ◽  
Donor Ligand

Crystal structures and DFT calculations of new chlorido-dimethylsulfoxide-MIII (M = Ir, Ru, Rh) complexes with the N-pyrazolyl pyrimidine donor ligand: kinetic vs. thermodynamic isomers

2014 ◽  
Vol 43 (17) ◽  
pp. 6353 ◽  
Author(s):  
María M. Cánaves ◽  
María I. Cabra ◽  
Antonio Bauzá ◽  
Pablo Cañellas ◽  
Kika Sánchez ◽  
...  
Keyword(s):  
Dft Calculations ◽  
Crystal Structures ◽  
Donor Ligand

Lewis base controlled supramolecular architectures via non-covalent interactions of dioxomolybdenum(vi) complexes with an ONS donor ligand: DFT calculations and biological study

2015 ◽  
Vol 39 (4) ◽  
pp. 2778-2794 ◽  
Author(s):  
Debanjana Biswal ◽  
Nikhil Ranjan Pramanik ◽  
Syamal Chakrabarti ◽  
Nirmalya Chakraborty ◽  
Krishnendu Acharya ◽  
...  
Keyword(s):  
Dft Calculations ◽  
Lewis Base ◽  
Biological Study ◽  
Donor Ligand ◽  
Supramolecular Architectures ◽  
Non Covalent Interactions ◽  
Covalent Interactions

Fascinating supramolecular frameworks of Mo(vi) complexes.

Structural elucidation, DFT calculations and catalytic activity of dioxomolybdenum(VI) complexes with N N donor ligand: Role of halogen atom coordinated to the molybdenum centre

Polyhedron ◽  
2021 ◽  
Vol 200 ◽  
pp. 115144
Author(s):  
Malini Roy ◽  
Debanjana Biswal ◽  
Nikhil Ranjan Pramanik ◽  
Michael G.B. Drew ◽  
Suvendu Paul ◽  
...  
Keyword(s):  
Catalytic Activity ◽  
Dft Calculations ◽  
Halogen Atom ◽  
Structural Elucidation ◽  
Donor Ligand

Cu(II) complex based on lemofloxacin and N,N-donor ligand: synthesis, crystal structure, DFT calculations, and in vitro antimicrobial evaluation

2021 ◽  
pp. 131542
Author(s):  
Joshua Ayoola Obaleye ◽  
Misitura Lawal ◽  
Rajendrasinh N. Jadeja ◽  
Vivek Kumar Gupta ◽  
Ginikachukwu Grace Nnabuike ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Dft Calculations ◽  
Donor Ligand ◽  
Antimicrobial Evaluation ◽  
Ligand Synthesis

Thermodynamics of plutonium(iii) and curium(iii) complexation with a N-donor ligand

2019 ◽  
Vol 48 (3) ◽  
pp. 839-842
Author(s):  
Manuel Miguirditchian ◽  
Dominique Guillaumont ◽  
Audrey Saint-Maxent ◽  
Philippe Moisy ◽  
Denis Guillaneux ◽  
...  
Keyword(s):  
Dft Calculations ◽  
Donor Ligand

The complexation of Pu(iii) and Cm(iii) with a soft N-donor ligand was investigated using the van't Hoff method, microcalorimetry and DFT calculations.

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