Keep Your TEMPO Up: Nitroxide Radicals as Sensors of Intermolecular Interactions.

Authors: Shenderovich, Ilya G.¹ (AUTHOR) ilya.shenderovich@ur.de

Source: Molecules. Nov2024, Vol. 29 Issue 21, p5032. 14p.

Subject Terms: *NITROXIDES, *COUPLING constants, *DENSITY functional theory, *INTERMOLECULAR interactions, *HYDROGEN bonding

As(V) removal from aqueous media using an environmentally friendly zwitterion L-cysteine functionalized silica adsorbent

Authors: Moran-Salazar, Rene G., Carbajal-Arizaga, Gregorio G., Gutierréz-Ortega, José A., Badillo-Camacho, Jessica, Manríquez-González, Ricardo, Shenderovich, Ilya G., Gómez-Salazar, Sergio

Source: In Chemical Engineering Science 15 August 2023 278

The use of effective core potentials in Hirshfeld atom refinement: making quantum crystallography faster in NoSpherA2.

Authors: Kleemiss, Florian, Meurer, Florian, Shenderovich, Ilya G., Bodensteiner, Michael

Source: Journal of Applied Crystallography; Apr2025, Vol. 58 Issue 2, p374-382, 9p

Subject Terms: HEAVY elements, CHEMICAL bonds, PSEUDOPOTENTIAL method, ELECTRON density, STRUCTURAL models

Color Compounds Removal from Tequila Vinasses Using Silica Gel Adsorbents Functionalized with Thiol Moieties: Equilibrium and Kinetics Studies.

Authors: Gonzalez-Valerio, Carlos, Peregrina-Lucano, Alejandro A., Manríquez-González, Ricardo, Pérez-Fonseca, Aida A., Robledo-Ortíz, Jorge R., Shenderovich, Ilya G., Gómez-Salazar, Sergio

Source: Molecules; Dec2024, Vol. 29 Issue 24, p5910, 21p

Subject Terms: ORGANIC wastes, HIGH temperatures, TEQUILA, THERMAL stability, SORBENTS, SILICA gel

Weak, Broken, but Working—Intramolecular Hydrogen Bond in 2,2′-bipyridine.

Authors: Shenderovich, Ilya G.¹ (AUTHOR) ilya.shenderovich@ur.de

Source: International Journal of Molecular Sciences. Jun2023, Vol. 24 Issue 12, p10390. 15p.

Subject Terms: *HYDROGEN bonding, *POLAR solvents, *ELECTRIC fields, *PROTONS

Efficiency and lead uptake mechanism of a phosphonate functionalized mesoporous silica through P/Pb association ratio

Authors: Gutiérrez-Ortega, José A., Gómez-Salazar, Sergio, Shenderovich, Ilya G., Manríquez-González, Ricardo

Source: In Materials Chemistry and Physics 1 January 2020 239

Monitoring structure and coordination chemistry of Co4O4-based oxygen evolution catalysts by nitrogen-14/-15 and cobalt-59 NMR spectroscopy.

Authors: Uhlig, Felix, Stammler, Michael B., Meurer, Florian, Shenderovich, Ilya G., Blahut, Jan, Wisser, Florian M.

Source: Dalton Transactions: An International Journal of Inorganic Chemistry; 5/28/2024, Vol. 53 Issue 20, p8541-8545, 5p

Subject Terms: COORDINATE covalent bond, CATALYSTS, PHOTOCATALYSTS, OXYGEN, NUCLEAR magnetic resonance spectroscopy

The Scope of the Applicability of Non‐relativistic DFT Calculations of NMR Chemical Shifts in Pyridine‐Metal Complexes for Applied Applications.

Authors: Shenderovich, Ilya G.

Source: ChemPhysChem; 4/2/2024, Vol. 25 Issue 7, p1-7, 7p

Probing the Isolobal Relation between Cp′′′NiP3 and White Phosphorus by Experimental Charge Density Analysis.

Authors: Meurer, Florian, Kleemiss, Florian, Riesinger, Christoph, Balázs, Gábor, Vuković, Vedran, Shenderovich, Ilya G., Jelsch, Christian, Bodensteiner, Michael

Source: Chemistry - A European Journal; 4/2/2024, Vol. 30 Issue 19, p1-8, 8p

Subject Terms: DENSITY functional theory, PHOSPHORUS, X-ray diffraction, DENSITY

Probing the Isolobal Relation between Cp′′′NiP3 and White Phosphorus by Experimental Charge Density Analysis.

Authors: Meurer, Florian¹, Kleemiss, Florian^1,2, Riesinger, Christoph¹, Balázs, Gábor¹, Vuković, Vedran^1,3, Shenderovich, Ilya G.¹, Jelsch, Christian³, Bodensteiner, Michael¹, michael.bodensteiner@ur.de

Source: Chemistry - A European Journal; 4/2/2024, Vol. 30 Issue 19, p1-8, 8p

Photochemistry of deprotonated rhenium(I) (3,3′-dihydroxy-2,2′-bipyridine) tricarbonyl chloride. Photoisomerization at the chelate in basic solution

Authors: Vogler, Arnd, Shenderovich, Ilya G.

Source: In Inorganica Chimica Acta 1 September 2014 421:496-499

Electric field effect on 31P NMR magnetic shielding.

Authors: Shenderovich, Ilya G.¹ (AUTHOR) ilya.shenderovich@ur.de

Source: Journal of Chemical Physics. 11/14/2020, Vol. 153 Issue 18, p1-6. 6p.

Subject Terms: *ELECTRIC field effects, *MAGNETIC shielding, *POLAR solvents, *DIPOLE moments, *MOLECULAR structure

Synthesis and characterization of ternary trielides Na7KTr4 [Tr=In or Tl] including [Tr4]⁸⁻ Tetrahedra.

Authors: Janesch, Melissa, Schwinghammer, Vanessa F., Shenderovich, Ilya G., Gärtner, Stefanie

Source: Zeitschrift für Anorganische und Allgemeine Chemie; 11/2/2023, Vol. 649 Issue 21, p1-8, 8p

Subject Terms: TANTALUM, LIQUID ammonia, BAND gaps, X-ray powder diffraction, ALKALI metals, ELECTRON paramagnetic resonance spectroscopy, TETRAHEDRA

Solvent effects on acid-base complexes. What is more important: A macroscopic reaction field or solute-solvent interactions?

Authors: Shenderovich, Ilya G.¹ (AUTHOR) ilya.shenderovich@ur.de, Denisov, Gleb S.² (AUTHOR)

Source: Journal of Chemical Physics. 5/28/2019, Vol. 150 Issue 20, pN.PAG-N.PAG. 7p. 1 Diagram, 2 Charts, 1 Graph.

Subject Terms: *DENSITY functional theory, *ELECTRIC fields, *GEOMETRIC modeling, *ACID-base catalysis, *HYDROGEN bonding

Critical hydrogen bonds and protonation states of pyridoxal 5′-phosphate revealed by NMR

Authors: Limbach, Hans-Heinrich, Chan-Huot, Monique, Sharif, Shasad, Tolstoy, Peter M., Shenderovich, Ilya G., Denisov, Gleb S., Toney, Michael D.

Source: In BBA - Proteins and Proteomics 2011 1814(11):1426-1437

Experimentally Established ¹⁵N NMR Absolute Shielding Scale for Theoretical Calculations.

Authors: Shenderovich, Ilya G.

Source: Journal of Physical Chemistry A; 7/6/2023, Vol. 127 Issue 26, p5547-5555, 9p

Local-structure effects on ³¹P NMR chemical shift tensors in solid state.

Authors: Chernyshov, Ivan Yu., Vener, Mikhail V., Shenderovich, Ilya G.

Source: Journal of Chemical Physics; 4/14/2019, Vol. 150 Issue 14, pN.PAG-N.PAG, 8p, 7 Diagrams, 5 Charts, 1 Graph

Subject Terms: CHEMICAL shift (Nuclear magnetic resonance), DENSITY functional theory, AMORPHOUS substances

Experimentally Established 15N NMR Absolute Shielding Scale for Theoretical Calculations

Authors: Shenderovich, Ilya G.

Source: The Journal of Physical Chemistry - Part A; July 2023, Vol. 127 Issue: 26 p5547-5555, 9p

L-Glutathione-Functionalized Silica Adsorbent for the Removal of Pesticide Malathion from Aqueous Solutions.

Authors: Vegas-Mendoza, Sonia M., Gutierrez-Ortega, José A., Moran-Salazar, Rene G., Cortes-Llamas, Sara A., Carbajal-Arizaga, Gregorio G., Peregrina-Lucano, Alejandro A., Shenderovich, Ilya G., Torres-Santiago, Gabriela, Gómez-Salazar, Sergio

Source: Processes; Oct2022, Vol. 10 Issue 10, pN.PAG-N.PAG, 14p

Subject Terms: MALATHION, AQUEOUS solutions, PESTICIDES, ADSORPTION kinetics, SILICA, ORGANOPHOSPHORUS pesticides, FENITROTHION

Intrinsic Proton-Donating Power of Zinc-Bound Water in a Carbonic Anhydrase Active Site Model Estimated by NMR.

Authors: Lesnichin, Stepan B., Shenderovich, Ilya G., Muljati, Titin

Source: Journal of the American Chemical Society; July 27 2011, Vol. 133 Issue 29, p11331-11338, 8p