The title compound, [Au(C(9)H(10)NOS)(C(18)H(33)P)], represents a monoclinic polymorph to complement a previously reported triclinic (P) polymorph [Hall et al. (1993 ▶). Aust. J. Chem.46, 561-570 (unit-cell data only)]. The Au(I) atom is coordinated within an S,P-donor set that defines a slightly distorted linear geometry [S-Au-P = = 175.43 (3)°], with the distortion due in part to a close intra-molecular Au⋯O contact [3.036 (2) Å]. In the crystal structure, mol-ecules are arranged into supra-molecular chains along the b axis mediated by C-H⋯π inter-actions.
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http://dx.doi.org/10.1107/S1600536810009086 | DOI Listing |
Heliyon
January 2025
Department of Physics, University of Rajshahi, Rajshahi, 6205, Bangladesh.
The present study focuses on the ground state mechanical, acoustic, thermodynamic and electronic transport properties of NaSbS polymorphs using the density functional theory (DFT) and semi-classical Boltzmann transport theory. The mechanical stability of the polymorphs is affirmed by the calculated elastic tensor. The calculated elastic properties asserted that all the polymorphs exhibit soft, brittle, anisotropic nature containing dominant covalent bonding.
View Article and Find Full Text PDFACS Mater Au
January 2025
Materials Department, University of California Santa Barbara, California 93106, United States.
Of the few weberite-type Na-ion cathodes explored to date, NaFeF exhibits the best performance, with capacities up to 184 mAh/g and energy densities up to 550 Wh/kg reported for this material. However, the development of robust structure-property relationships for this material is complicated by its tendency to form as a mixture of metastable polymorphs, and transform to a lower-energy Na FeF perovskite compound during electrochemical cycling. Our first-principles-guided exploration of Fe-based weberite solid solutions with redox-inactive Mg and Al predicts an enhanced thermodynamic stability of NaMg Fe F as the Mg content is increased, and the = 0.
View Article and Find Full Text PDFACS Omega
December 2024
Departamento de Química, Universidade Federal da Paraíba (UFPB), 58.051-900 João Pessoa, Paraíba, Brazil.
Hydrogen (H) is a viable alternative as a sustainable energy source, however, new highly efficient electrocatalysts for water splitting are still a research challenge. In this context, metal-organic frameworks (MOFs)-derived nanomaterials are prominent high-performance electrocatalysts for hydrogen production, especially in the oxygen evolution reaction (OER). Here, a new synthesis of two cerium oxide (CeO) electrocatalysts using Ce-succinates MOFs as templates is proposed.
View Article and Find Full Text PDFIUCrdata
October 2024
Nelson Mandela University, Summerstrand Campus, Department of Chemistry, University Way, Summerstrand, PO Box 77000, Port Elizabeth, 6031, South Africa.
The title compound, CHO, is an α-hy-droxy-carb-oxy-lic acid whose ortho-rhom-bic polymorph has been reported earlier [Qiu (2007 ▸). , , 1819-1824]. The asymmetric unit contains two complete mol-ecules.
View Article and Find Full Text PDFActa Crystallogr E Crystallogr Commun
October 2024
Department of Inorganic Chemistry and Technology, Jožef Stefan Institute, Jamova 39, 1000 Ljubljana, Slovenia.
The crystal structure of the title organic-inorganic hybrid salt, (CHN)[CdCl], (I), has been reported with four mol-ecules in the asymmetric unit in a monoclinic cell [Vassilyeva (2021 ▸). , , 7713-7722]. While using two different aldehydes in the oxidative cyclization-condensation involving CHNH·HCl to prepare a new monovalent cation with the imidazo[1,5-]pyridinium skeleton, a new polymorph was obtained for (I) in space group 1 and a unit cell with approximately half the volume of the monoclinic form.
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