Hemant P. Yennawar

Structural Changes are Entangled with Periodic Trends in Thermodynamic Hydricity; Comparing [H–MII(EtXantphos)2]+ and their Hydride Deficient Congeners (M = Ni, Pd, or Pt)

Nisha Rao, Samaresh Chandra Sau, Hemant P. Yennawar, Santanu Malakar et autres

Experimental measurements of hydricity (ΔGH–) quantify the equilibrium between a metal hydride (H–M) and its hydride-deficient congener (M+). However, periodic trends for transferring H– have proven less predictable than those for H• and H+ amongst 3d/4d/5d congeners. Building off existing work, we …

Catch-and-Release of Molybdate [MoO4] 2– by a Synthetic “Molybdophore” Host.

Shannon M. Leahy, Ethan T. Kang, Hemant P. Yennawar, Jonathan L. Kuo

Flexible, neutral 2,2′-diindolylmethane-derived ligands L1 and L2 feature two “protic pockets” (comprised of vicinal N–H indole / N–H amide groups) that encapsulate the tetrahedral oxy-di-anion [MoO₄]²⁻ in CD₃CN. Monitoring incremental additions of [ n Bu 4 ] 2 [MoO 4 ] to …

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CCDC 2481511: Experimental Crystal Structure Determination

Karli Sipps, Hemant P. Yennawar, Jonathan L. Kuo

An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, …

CCDC 2448781: Experimental Crystal Structure Determination

Karli Sipps, Hemant P. Yennawar, Jonathan L. Kuo

An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, …

CCDC 2482750: Experimental Crystal Structure Determination

Karli Sipps, Hemant P. Yennawar, Jonathan L. Kuo

An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, …

Designing for Intramolecular H-Bonding in Palladium(II) Dichlorides

Karli Sipps, Hemant P. Yennawar, Jonathan L. Kuo

, illustrate that unsaturated six-membered metallacycles are well-suited to "flex" and accommodate intramolecular H-bonding. Analyzing the individual H-bonds with a distortion-interaction model suggests that this flexibility originates from small energies of rearrangement. Our analysis unifies other cases of intramolecular H-bonding under a …

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A Green, Facile Method for Selective α-Bromination of Flavanones

Anna J. Sigmon, Tatiana N. Laremore, Hemant P. Yennawar, Gena D. Guerin et autres

Flavonoids, a broad class of polyphenolic secondary metabolites, possess diverse and potent biological activities, including anti-inflammatory, antioxidative, antiviral, and analgesic properties. Flavanones, a prominent flavonoid subclass, are especially notable for their therapeutic potential, with several derivatives exhibiting anticancer and antiviral effects. Bromination …

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Syntheses and structures of spontaneously resolved (2 S )-2-phenyl-3-(thiazol-2-yl)-2,3,5,6-tetrahydro-4 H -1,3-thiazin-4-one and racemic 2-(furan-2-yl)-3-phenyl-2,3,5,6-tetrahydro-4 H -1,3-thiazin-4-one

Hemant P. Yennawar, Tapas K. Mal, Mark A. Olsen, Anthony F. Lagalante et autres

The title compounds, one a thiazole derivative: (2 S )-2-phenyl-3-(thiazol-2-yl)-2,3,5,6-tetrahydro-4 H -1,3-thiazin-4-one, C 13 H 12 N 2 OS 2 , and the second a furan derivative: ( rac )-2-(furan-2-yl)-3-phenyl-2,3,5,6-tetrahydro-4 H -1,3-thiazin-4-one, C 14 H 13 NO 2 S, crystallize in space-groups …

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Designing for Intramolecular H-Bonding in Palladium(II) Dichlorides

Karli Sipps, Hemant P. Yennawar, Jonathan L. Kuo

Strong and synergistic hydrogen bonds (H-bonds) add many possibilities for organizing components around a transition metal ion. However, each additional H-bond introduces a new conformational constraint; mismatched geometric preferences for the metal, supporting ligand, and H-bond donor/acceptor groups can result in unintended …

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Perfluorinated Organosilicons Enabling Low‐Loss Ferroelectric Polymer Composites for Efficient Energy Storage and Electroluminescence

Li Li, Zhubing Han, Hemant P. Yennawar, Yunyun Cheng et autres

Abstract Ferroelectric polymers for energy storage and conversions suffer from high energy losses. Despite great efforts in polymer composites with organic or inorganic fillers, limited successes are achieved with an often compromised dielectric constant ( K ). Here, a synthesized organic–inorganic hybrid—perfluorinated …

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Synthesis of Fluorinated O-IDTBR Acceptors for Organic Solar Cells

André J. van der Vlies, Stephen T.C. Wong, Hemant P. Yennawar, Burcu Dursun et autres

Nonfullerene acceptors have led to remarkable advances in the efficiency and stability of organic photovoltaic devices (OPVs). Halogenation at key sites of molecular and polymeric acceptors can often enhance performance by affecting packing and phase separation with the donor. Here, we report …

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Computationally-driven discovery of second harmonic generation in EuBa 3 (B 3 O 6 ) 3 through inversion symmetry breaking: erratum

Jingyang He, Louis Alaerts, Yu Wang, Victor Trinquet et autres

We present an erratum to our publication [ Opt. Mater. Express 13 , 3416 ( 2023 ) 10.1364/OME.497727 ]. This erratum addresses a few errors in an equation, a figure panel, and the main text.

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