Sergiy V. Rosokha

article

Frontispiece: “Anti‐electrostatic” Halogen Bonding between Ions of Like Charge

Jana M. Holthoff, Robert Weiss, Sergiy V. Rosokha, Stefan M. Huber

Chemistry – A European Journal > 27 > 67 > n/a - n/a

Halogen bonding, the sister noncovalent interaction to hydrogen bonding, usually utilizes cationic or neutral halogenated Lewis acids. The application of anionic halogen bond donors seems counter‐intuitive, particularly in adducts with anionic Lewis bases: the electrostatic potentials of the isolated compounds seem to predict that such complexes are not feasible. For an overview on such “anti‐electrostatic”...

article

“Anti‐electrostatic” Halogen Bonding between Ions of Like Charge

Jana M. Holthoff, Robert Weiss, Sergiy V. Rosokha, Stefan M. Huber

Chemistry – A European Journal > 27 > 67 > 16530 - 16542

Halogen bonding occurs between molecules featuring Lewis acidic halogen substituents and Lewis bases. It is often rationalized as a predominantly electrostatic interaction and thus interactions between ions of like charge (e. g., of anionic halogen bond donors with halides) seem counter‐intuitive. Herein, we provide an overview on such complexes. First, theoretical studies are described and their...

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Halogen Bonding Between Anions: Association of Anion Radicals of Tetraiodo‐p‐benzoquinone with Iodide Anions

Tristan Maxson, Almaz S. Jalilov, Matthias Zeller, Sergiy V. Rosokha

Angewandte Chemie > 132 > 39 > 17350 - 17354

Halogen bonding between two negatively charged species, tetraiodo‐p‐benzoquinone anion radicals (I₄Q^−.) and iodide anions, was observed and characterized for the first time. X‐ray structural and EPR/UV–Vis spectral studies revealed that the anion–anion bonding led to the formation of crystals comprising 2D layers of I₄Q^−. anion radicals linked by iodides and separated by Et₄N⁺ counter‐ions. Computational...

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Halogen Bonding Between Anions: Association of Anion Radicals of Tetraiodo‐p‐benzoquinone with Iodide Anions

Tristan Maxson, Almaz S. Jalilov, Matthias Zeller, Sergiy V. Rosokha

Angewandte Chemie International Edition > 59 > 39 > 17197 - 17201

Halogen bonding between two negatively charged species, tetraiodo‐p‐benzoquinone anion radicals (I₄Q^−.) and iodide anions, was observed and characterized for the first time. X‐ray structural and EPR/UV–Vis spectral studies revealed that the anion–anion bonding led to the formation of crystals comprising 2D layers of I₄Q^−. anion radicals linked by iodides and separated by Et₄N⁺ counter‐ions. Computational...

article

Molecular Bases for Anesthetic Agents: Halothane as a Halogen‐ and Hydrogen‐Bond Donor

Susanta K. Nayak, Giancarlo Terraneo, Quirino Piacevoli, Federica Bertolotti, more

Angewandte Chemie > 131 > 36 > 12586 - 12589

Although instrumental for optimizing their pharmacological activity, a molecular understanding of the preferential interactions given by volatile anesthetics is quite poor. This paper confirms the ability of halothane to work as a hydrogen‐bond (HB) donor and gives the first experimental proof that halothane also works as a halogen‐bond (HaB) donor in the solid state and in solution. A halothane/hexamethylphosphortriamide...

article

Inside Cover: Molecular Bases for Anesthetic Agents: Halothane as a Halogen‐ and Hydrogen‐Bond Donor (Angew. Chem. Int. Ed. 36/2019)

Susanta K. Nayak, Giancarlo Terraneo, Quirino Piacevoli, Federica Bertolotti, more

Angewandte Chemie International Edition > 58 > 36 > 12308 - 12308

Halothane, a commonly used anesthetic can simultaneously function as a hydrogen‐bond and a halogen‐bond donor in the solid state and in solution, as shown by S. V. Rosokha, G. Resnati, and co‐workers in their Communication on page 12456 ff. Both interactions involve moieties commonly present in cell membranes, probable target structures of halothane in the human body. The ability of the agent to act...

article

Molecular Bases for Anesthetic Agents: Halothane as a Halogen‐ and Hydrogen‐Bond Donor

Susanta K. Nayak, Giancarlo Terraneo, Quirino Piacevoli, Federica Bertolotti, more

Angewandte Chemie International Edition > 58 > 36 > 12456 - 12459

Although instrumental for optimizing their pharmacological activity, a molecular understanding of the preferential interactions given by volatile anesthetics is quite poor. This paper confirms the ability of halothane to work as a hydrogen‐bond (HB) donor and gives the first experimental proof that halothane also works as a halogen‐bond (HaB) donor in the solid state and in solution. A halothane/hexamethylphosphortriamide...

article

Innentitelbild: Molecular Bases for Anesthetic Agents: Halothane as a Halogen‐ and Hydrogen‐Bond Donor (Angew. Chem. 36/2019)

Susanta K. Nayak, Giancarlo Terraneo, Quirino Piacevoli, Federica Bertolotti, more

Angewandte Chemie > 131 > 36 > 12436 - 12436

Halothan, ein häufig genutztes Anästhetikum, kann gleichzeitig als Wasserstoffbrücken‐ und Halogenbrückendonor im Festkörper und in Lösung fungieren, wie S. V. Rosokha, G. Resnati et al. in ihrer Zuschrift auf S. 12586 zeigen. Beide Wechselwirkungen involvieren funktionelle Gruppen, die auch in Zellmembranen vorhanden sind, wahrscheinlichen Zielstrukturen von Halothan im menschlichen Körper. Die Fähigkeit...

article

Anion-π interaction in metal-organic networks formed by metal halides and tetracyanopyrazine

Sergiy V. Rosokha, Amar Kumar

Journal of Molecular Structure > 2017 > 1138 > C > 129-135

Co-crystallization of tetracyanopyrazine, TCP, with the tetraalkylammonium salts of linear [CuBr₂]⁻, planar [PtCl₄]²⁻ or [Pt₂Br₆]²⁻, or octahedral [PtBr₆]²⁻ complexes resulted in formation of the alternating [M_lX_n]^m−/TCP stacks separated by the Alk₄N⁺ cations. These hybrid stacks showed multiple short contacts between halide ligands of the [M_lX_n]^m− complexes and carbon atoms of the TCP acceptor indicating...

chapter

X-ray Structures and Electronic Spectra of the π-Halogen Complexes between Halogen Donors and Acceptors with π-Receptors

Sergiy V. Rosokha, Jay K. Kochi

Structure and Bonding > Halogen Bonding > 137-160

The spectral characteristics and thermodynamics for the formation of intermolecular complexes of dihalogens, halocarbons, and halide anions with various organic (aromatic and olefinic) π-receptors show their direct relationship to the more traditional donor/acceptor complexes. The unified Mulliken dependence indicates the common (charge-transfer) origin of the long-distance π-bonding of the halogen...

article

Experimental and Computational Probes of the Nature of Halogen Bonding: Complexes of Bromine‐Containing Molecules with Bromide Anions

Sergiy V. Rosokha, Charlotte L. Stern, Jeremy T. Ritzert

Chemistry – A European Journal > 19 > 27 > 8774 - 8788

The nature of halogen bonding is examined via experimental and computational characterizations of a series of associates between electrophilic bromocarbons RBr (RBr=CBr₃F, CBr₃NO₂, CBr₃COCBr₃, CBr₃CONH₂, CBr₃CN, etc.) and bromide anions. The [RBr, Br⁻] complexes show intense absorption bands in the 200–350 nm range which follow the same Mulliken correlation as those observed for the charge‐transfer...

article

Intermolecular π‐dimer of oxoverdazyl radicals with long‐distance multicenter (2e/8c) bonding via nitrogen atoms

Sergiy V. Rosokha, Jing Zhang, Jianjiang Lu, Jay K. Kochi

Journal of Physical Organic Chemistry > 23 > 5 > 395 - 399

The first distinct intermolecular π‐dimer of prototypical oxoverdazyl radical represents a rare example of multicentered (2e/8c) long‐distance bonding concentrated on the nitrogen atoms.

article

One- and two-dimensional coordination networks of the tetracyanoethylene anion-radicals with potassium counter-ions

Sergiy V. Rosokha, Bernd Lorenz, Tetyana Y. Rosokha, Jay K. Kochi

Polyhedron > 2009 > 28 > 18 > 4136-4140

Potassium-mirror reduction of tetracyanoethylene (TCNE) acceptor in tetrahydrofuran affords K(THF) ₂ TCNE salt (1) showing double TCNE/K chains assembled via unusual μ ₃ -TCNE-bridging of potassium cations. These parallel ladder-type chains are further tethered by pairs of THF bridges between potassium centers and by intermolecular π-bonding in (TCNE) ₂ ²⁻ dimers, and this...

article

Fresh Look at Electron-Transfer Mechanisms via the Donor/Acceptor Bindings in the Critical Encounter Complex

Sergiy V. Rosokha, Jay K. Kochi

Accounts of Chemical Research > 2008 > 41 > 5 > 641 - 653

article

The Spectral Elucidation versus the X-ray Structure of the Critical Precursor Complex in Bimolecular Electron Transfers: Application of Experimental/Theoretical Solvent Probes to Ion-Radical (Redox) Dyads

Sergiy V. Rosokha, Marshall D. Newton, Almaz S. Jalilov, Jay K. Kochi

Journal of the American Chemical Society > 2008 > 130 > 6 > 1944 - 1952

article

Reversible Interchange of Charge-Transfer versus Electron-Transfer States in Organic Electron Transfer via Cross-Exchanges between Diamagnetic (Donor/Acceptor) Dyads ^†

Duoli Sun, Sergiy V. Rosokha, Jay K. Kochi

The Journal of Physical Chemistry B > 2007 > 111 > 24 > 6655 - 6666

article

Continuum of Outer- and Inner-Sphere Mechanisms for Organic Electron Transfer. Steric Modulation of the Precursor Complex in Paramagnetic (Ion-Radical) Self-Exchanges

Sergiy V. Rosokha, Jay K. Kochi

Journal of the American Chemical Society > 2007 > 129 > 12 > 3683 - 3697

article

Molecular and Electronic Structures of the Long-Bonded π-Dimers of Tetrathiafulvalene Cation-Radical in Intermolecular Electron Transfer and in (Solid-State) Conductivity

Sergiy V. Rosokha, Jay K. Kochi

Journal of the American Chemical Society > 2007 > 129 > 4 > 828 - 838

article

Quinones as Electron Acceptors. X-Ray Structures, Spectral (EPR, UV−vis) Characteristics and Electron-Transfer Reactivities of Their Reduced Anion Radicals as Separated vs Contact Ion Pairs

Jian-Ming Lü, Sergiy V. Rosokha, Ivan S. Neretin, Jay K. Kochi

Journal of the American Chemical Society > 2006 > 128 > 51 > 16708 - 16719

article

The Question of Aromaticity in Open-Shell Cations and Anions as Ion-Radical Offsprings of Polycyclic Aromatic and Antiaromatic Hydrocarbons

Sergiy V. Rosokha, Jay K. Kochi

The Journal of Organic Chemistry > 2006 > 71 > 25 > 9357 - 9365

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Search results for: Sergiy V. Rosokha

Frontispiece: “Anti‐electrostatic” Halogen Bonding between Ions of Like Charge

“Anti‐electrostatic” Halogen Bonding between Ions of Like Charge

Halogen Bonding Between Anions: Association of Anion Radicals of Tetraiodo‐p‐benzoquinone with Iodide Anions

Halogen Bonding Between Anions: Association of Anion Radicals of Tetraiodo‐p‐benzoquinone with Iodide Anions

Molecular Bases for Anesthetic Agents: Halothane as a Halogen‐ and Hydrogen‐Bond Donor

Inside Cover: Molecular Bases for Anesthetic Agents: Halothane as a Halogen‐ and Hydrogen‐Bond Donor (Angew. Chem. Int. Ed. 36/2019)

Molecular Bases for Anesthetic Agents: Halothane as a Halogen‐ and Hydrogen‐Bond Donor

Innentitelbild: Molecular Bases for Anesthetic Agents: Halothane as a Halogen‐ and Hydrogen‐Bond Donor (Angew. Chem. 36/2019)

Anion-π interaction in metal-organic networks formed by metal halides and tetracyanopyrazine

X-ray Structures and Electronic Spectra of the π-Halogen Complexes between Halogen Donors and Acceptors with π-Receptors

Experimental and Computational Probes of the Nature of Halogen Bonding: Complexes of Bromine‐Containing Molecules with Bromide Anions

Intermolecular π‐dimer of oxoverdazyl radicals with long‐distance multicenter (2e/8c) bonding via nitrogen atoms

One- and two-dimensional coordination networks of the tetracyanoethylene anion-radicals with potassium counter-ions

Fresh Look at Electron-Transfer Mechanisms via the Donor/Acceptor Bindings in the Critical Encounter Complex

The Spectral Elucidation versus the X-ray Structure of the Critical Precursor Complex in Bimolecular Electron Transfers: Application of Experimental/Theoretical Solvent Probes to Ion-Radical (Redox) Dyads

Reversible Interchange of Charge-Transfer versus Electron-Transfer States in Organic Electron Transfer via Cross-Exchanges between Diamagnetic (Donor/Acceptor) Dyads ^†

Continuum of Outer- and Inner-Sphere Mechanisms for Organic Electron Transfer. Steric Modulation of the Precursor Complex in Paramagnetic (Ion-Radical) Self-Exchanges

Molecular and Electronic Structures of the Long-Bonded π-Dimers of Tetrathiafulvalene Cation-Radical in Intermolecular Electron Transfer and in (Solid-State) Conductivity

Quinones as Electron Acceptors. X-Ray Structures, Spectral (EPR, UV−vis) Characteristics and Electron-Transfer Reactivities of Their Reduced Anion Radicals as Separated vs Contact Ion Pairs

The Question of Aromaticity in Open-Shell Cations and Anions as Ion-Radical Offsprings of Polycyclic Aromatic and Antiaromatic Hydrocarbons

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