VOCl3: Crystallization, crystal structure, and structural relationships: A joint X-ray and 35Cl-NQR investigation

Vanadium(IV) and Oxidovanadium(IV) and ‐(V) Complexes with Soft Thioether Coordination – Synthesis, Spectroscopic and Structural Studies

“…The data on the three complexes are in excellent agreement. [15] Two V-Cl shells were refined, the slightly shorter distances corresponding to the two chlorines trans to S, and the longer distance due to the one chlorine trans to V=O. The V-S distances at ca.…”

Understanding Aqueous Electrolyte Stability through Combined Computational and Magnetic Resonance Spectroscopy: A Case Study on Vanadium Redox Flow Battery Electrolytes

“…An increase in the sulfuric acid concentration causes counteranion (i.e., ${{\rm{SO}}_{\rm{4}}^{{\rm{2}} - } }$ ) occupation in the secondary solvation shell, and subsequently raises the activation energy for the vanadyl ion’s molecular reorientation 21. Suppression of vanadyl molecular reorientation owing to the steric hindrance from the neighboring sulfate anion (which has a larger volume and higher charge) explains previous experimental results of decreased VOSO 4 solubility with increased sulfuric acid concentration 22. Decrease in temperature has a similar effect in lowering the vanadyl ion mobility leading to precipitation.…”

Gas‐Phase Generation and Electronic Structure Investigation of Oxidovanadium Triisocyanate, OV(NCO)3

“…Comparing the V=O bond of several compounds, we found that the predicted V=O bond length in OV(NCO) 3 (1.560 Å) is very close to the experimental results for OV(NO 3 ) 3 (1.607 Å) and OVCl 3 (1.571 Å) in the gas phase. [8,15] The V=O bonds in OVCl(NCO) 2 and OVCl 2 (NCO) are slightly shorter than that in OV(NCO) 3 . The V-N bond of OV(NCO) 3 (1.845 Å) is close to the value for OV(NH 2 ) 3 (1.866 Å) predicted by calculation, [16] the V-N bond becomes stronger with increasing Cl substitution, which is reflected in the decrease of r V-N from 1.845 to 1.832 Å (Figure 2).…”

“…In comparison with the photoelectron (PE) spectrum of OVCl 3 , [15] the spectrum of OV(NCO) 3 is much more complicated, because of the participation of the NCO group. In the low ionization region (Ͻ15eV), there are four bands with no obvious vibrational structure.…”