Tailoring Heterometallic Cluster Functional Building Blocks: Synthesis, Separation, Structural and DFT Studies of [Re6-x Mox Se8 (CN)6 ]n.

Viktoria K MuravievaYakov M GayfulinCarmelo PrestipinoPierric LemoineMaxim R RyzhikovVadim V YansholeStéphane CordierNikolay G Naumov

Published in: Chemistry (Weinheim an der Bergstrasse, Germany) (2019)

Influence of the metal core composition and geometry on the structure, spectroscopic properties and redox potentials was investigated for the first time for heterometallic (Re/Mo)6 octahedral clusters. The discrete anionic clusters [Re6-x Mox Se8 (CN)6 ]n- (x=2, 3; n=4, 5) were obtained as individual salts. Their isomeric composition and bond-length distribution were inspected using a combination of single-crystal X-ray structure analysis, NMR, EXAFS, and DFT calculations.

Keyphrases

density functional theory
molecular docking
high resolution
lymph node metastasis
molecular dynamics simulations
molecular dynamics
solid state
magnetic resonance
squamous cell carcinoma
ionic liquid
case control
mass spectrometry
single molecule
electron transfer