Nithya Balakrishnan

5 Questions 5 Answers 0 Followers

Questions related from Nithya Balakrishnan

What is the basis set suitable for metal cationic complexes in DFT (Gaussian 9) studies?

Which is the best basis set for geometry optimization and finding the energy gap of the metal cationic complexes wherein chloride ion is outside the coordination sphere? For neutral complexes,...

09 August 2021 5,376 7 View

Can we use SwissADME web tool for metal complexes?

Normally the reports for ADME properties are limited to small organic molecules. So, is it reliable to use SwissADME or other respective web tools for bigger metal complexes??

15 May 2021 9,776 2 View

How to isolate the pure Ruthenium DMSO complexes from the reaction mixture?

The reaction between N-S bidentate/ONS tridendate ligand (TSC) and cis[RuCl2(DMSO)4] in ethanol by reflux is complete as seen from TLC chromatography. But removing the excess solvent through...

28 December 2020 6,776 1 View

What may be the reasons for broad spectrum at 4.8 ppm in proton NMR (taken in DMSO-d6) for Pd(II) complexes?

The synthesized Pd(II) complexes involved -NH group attached to C=S moiety. The 1H proton NMR taken in DMSO-d6 solvent consisted of a very broad peak at 4.8 ppm with an integration of 6. They are...

10 December 2020 10,133 3 View

What may be the reasons for broad spectrum in proton NMR (taken in DMSO-d6) for Pd(II) complexes?

The synthesized Pd(II) complexes involved -NH group attached to C=S moiety. The 1H proton NMR taken in DMSO-d6 solvent consisted of a very broad peak at 4.8 ppm with an integration of 6. They are...

10 December 2020 4,505 3 View