Combined theoretical and experimental analysis of the bonding in the heterobimetallic cubane-type Mo(3)NiS(4) and Mo(3)CuS(4) core clusters

Autor: Guillaume Sauthier, Sensato Fr, Carles Bo, Jordi Fraxedas, Feliz M, Campanera Jm, Juan Andrés, Rosa Llusar, Hernandez, López-Navarrete Jt, Bernard Silvi

Publikováno v: Inorganic chemistry. 46(6)

X-ray structural data for the cubane-type clusters [Mo3CuS4(dmpe)3Cl4](+) and Mo3NiS4(dmpe)3Cl4 (dmpe = 1,2-bis(dimethylphosphino)ethane) with 16 metal electrons have been compared with optimized structural parameters calculated using "ab initio" met

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https://pubmed.ncbi.nlm.nih.gov/17302404

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Extended π-Conjugation and Structural Planarity Effects of Symmetrical D-π-A-π-D Naphthalene and Perylene Diimide Semiconductors on n-type Electrical Properties.

Autor: Gámez-Valenzuela S; Department of Physical Chemistry, University of Malaga Campus de Teatinos s/n, Malaga, 29071, Spain., Torres-Moya I; Department of Inorganic, Organic Chemistry and Biochemistry University of Castilla-La Mancha-IRICA, Faculty of Science and Chemical Technologies, Ciudad Real, 13071, Spain.; Department of Organic Chemistry, University of Murcia Campus of Espinardo, Murcia, 30005, Spain., Sánchez A; Department of Inorganic, Organic Chemistry and Biochemistry University of Castilla-La Mancha-IRICA, Faculty of Science and Chemical Technologies, Ciudad Real, 13071, Spain., Donoso B; Department of Inorganic, Organic Chemistry and Biochemistry University of Castilla-La Mancha-IRICA, Faculty of Science and Chemical Technologies, Ciudad Real, 13071, Spain., López Navarrete JT; Department of Physical Chemistry, University of Malaga Campus de Teatinos s/n, Malaga, 29071, Spain., Ruiz Delgado MC; Department of Physical Chemistry, University of Malaga Campus de Teatinos s/n, Malaga, 29071, Spain., Prieto P; Department of Inorganic, Organic Chemistry and Biochemistry University of Castilla-La Mancha-IRICA, Faculty of Science and Chemical Technologies, Ciudad Real, 13071, Spain., Ponce Ortiz R; Department of Physical Chemistry, University of Malaga Campus de Teatinos s/n, Malaga, 29071, Spain.

Publikováno v: Chemistry (Weinheim an der Bergstrasse, Germany) [Chemistry] 2023 Aug 15; Vol. 29 (46), pp. e202301639. Date of Electronic Publication: 2023 Jul 18.

Dynamic Covalent Properties of a Novel Indolo[3,2-b]carbazole Diradical.

Autor: Badía-Domínguez I; Department of Physical Chemistry, University of Málaga, Campus de Teatinos s/n, 229071, Málaga, Spain., Peña-Álvarez M; Present address: Centre for Science at Extreme Conditions & School of, Physics and Astronomy, University of Edinburgh, Edinburgh, EH9 3FD, UK.; MALTA-Consolider Team, Department of Physical Chemistry I, Chemistry Faculty, University Complutense of Madrid, 28040, Madrid, Spain., Wang D; Key Laboratory of Synthetic and Self-assembly Chemistry for, Organic Functional Materials, Shanghai Institute of Organic Chemistry, Chinese Academy of Sciences, Shanghai, 200032, China., Pérez Guardiola A; Department of Physical Chemistry, University of Alicante, 03080, Alicante, Spain., Vida Y; Departamento de Química Orgánica, Universidad de Málaga-IBIMA, Campus de Teatinos s/n, 29071, Málaga, Spain.; Centro Andaluz de Nanomedicina y Biotecnología-BIONAND, Parque Tecnológico de Andalucía, C/ Severo Ochoa 35, 29590 Campanillas, Málaga, Spain., Rodríguez González S; Department of Physical Chemistry, University of Málaga, Campus de Teatinos s/n, 229071, Málaga, Spain., López Navarrete JT; Department of Physical Chemistry, University of Málaga, Campus de Teatinos s/n, 229071, Málaga, Spain., Hernández Jolín V; Department of Physical Chemistry, University of Málaga, Campus de Teatinos s/n, 229071, Málaga, Spain., Sancho García JC; Department of Physical Chemistry, University of Alicante, 03080, Alicante, Spain., García Baonza V; MALTA-Consolider Team and Instituto de Geociencias IGEO (CSIC-UCM), University Complutense of Madrid, 28040, Madrid, Spain., Nash R; Department of Chemistry, University of Reading, Whiteknights, Reading, RG6 6DX, UK., Hartl F; Department of Chemistry, University of Reading, Whiteknights, Reading, RG6 6DX, UK., Li H; Key Laboratory of Synthetic and Self-assembly Chemistry for, Organic Functional Materials, Shanghai Institute of Organic Chemistry, Chinese Academy of Sciences, Shanghai, 200032, China., Ruiz Delgado MC; Department of Physical Chemistry, University of Málaga, Campus de Teatinos s/n, 229071, Málaga, Spain.

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Push-pull thiophene chromophores for electro-optic applications: from 1D linear to β-branched structures.

Autor: Rothe C; IPOC-Functional Polymers, Institute of Polymer Chemistry, University of Stuttgart, Pfaffenwaldring 55, 70569 Stuttgart, Germany. sabine.ludwigs@ipoc.uni-stuttgart.de., Neusser D; IPOC-Functional Polymers, Institute of Polymer Chemistry, University of Stuttgart, Pfaffenwaldring 55, 70569 Stuttgart, Germany. sabine.ludwigs@ipoc.uni-stuttgart.de., Hoppe N; Institute of Electrical and Optical Communications Engineering, University of Stuttgart, Pfaffenwaldring 47, 70569 Stuttgart, Germany., Dirnberger K; IPOC-Functional Polymers, Institute of Polymer Chemistry, University of Stuttgart, Pfaffenwaldring 55, 70569 Stuttgart, Germany. sabine.ludwigs@ipoc.uni-stuttgart.de., Vogel W; Institute of Electrical and Optical Communications Engineering, University of Stuttgart, Pfaffenwaldring 47, 70569 Stuttgart, Germany., Gámez-Valenzuela S; Department of Physical Chemistry, University of Málaga, 29071 Málaga, Spain. carmenrd@uma.es., López Navarrete JT; Department of Physical Chemistry, University of Málaga, 29071 Málaga, Spain. carmenrd@uma.es., Villacampa B; Departamento de Física de la Materia Condensada, Escuela de Ingeniería y Arquitectura - Universidad de Zaragoza, C/María de Luna, 3, 50018, Zaragoza, Spain., Berroth M; Institute of Electrical and Optical Communications Engineering, University of Stuttgart, Pfaffenwaldring 47, 70569 Stuttgart, Germany., Ruiz Delgado MC; Department of Physical Chemistry, University of Málaga, 29071 Málaga, Spain. carmenrd@uma.es., Ludwigs S; IPOC-Functional Polymers, Institute of Polymer Chemistry, University of Stuttgart, Pfaffenwaldring 55, 70569 Stuttgart, Germany. sabine.ludwigs@ipoc.uni-stuttgart.de.

Publikováno v: Physical chemistry chemical physics : PCCP [Phys Chem Chem Phys] 2020 Jan 28; Vol. 22 (4), pp. 2283-2294. Date of Electronic Publication: 2020 Jan 10.