Torsion Effects Beyond the δ Bond and the Role of π Metal‐Ligand Interactions

Autor: Almudena Inchausti, Rosa Mollfulleda, Marcel Swart, Josefina Perles, Santiago Herrero, Valentín G. Baonza, Mercedes Taravillo, Álvaro Lobato

Publikováno v: Advanced Science, Vol 11, Iss 25, Pp n/a-n/a (2024)

Abstract Previous studies on bimetallic paddlewheel compounds have established a direct correlation between metal–metal distance and ligand torsion angles, leading to the rule that higher torsion results in longer metal‐metal bond distances. Here

Externí odkaz: https://doaj.org/article/f51632ebdfca45b68cccae00fa3d1448

Charge analysis in (RE)CrO4 scheelites by combined raman spectroscopy and computer simulations

Autor: Valentín García Baonza, Álvaro Lobato, J. Manuel Recio, Mercedes Taravillo

Publikováno v: Scopus

The quest for structure-property relationships in scheelite-type (RE)CrO4 compounds (where RE is a rare earth element) is a difficult task due to the number of exceptions found in RE empirical trends and the uncommon Cr(V) oxidation state. In this wo

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::286e3d1abf2175d23a582a6a910ee5db
http://hdl.handle.net/10651/66746

Infrared spectroscopic study of the formation of fossil resin analogs with temperature using trans-communic acid as precursor

Autor: Álvaro Lobato, Valentín G. Baonza, Mercedes Taravillo, O. R. Montoro

Publikováno v: Microchemical Journal. 141:294-300

For million years resin exudates have undergone chemical alterations by heat, pressure, radiation, water, oxygen, microorganisms, and have suffered processes of sedimentation and diagenesis. These agents have affected the organic functional groups pr

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::7928730e137e8190ca9b77d64467d40f
https://doi.org/10.1016/j.microc.2018.05.035

Linear, Non-Conjugated Cyclic and Conjugated Cyclic Paraphenylene under Pressure

Autor: Mercedes Taravillo, Margherita Citroni, Naomi Falsini, Roberto Bini, Simon Parsons, Valentín G. Baonza, Miriam Peña-Alvarez, Giulia Novelli, Samuele Fanetti, Juan Casado

Publikováno v: Molecules
Volume 24
Issue 19
Pena Alvarez, M, Fanetti, S, Falsini, N, Novelli, G, Casado, J, Baonza, V G, Taravillo, M, Parsons, S, Bini, R & Citroni, M 2019, ' Linear, Non-Conjugated Cyclic and Conjugated Cyclic Paraphenylene under Pressure ', Molecules . https://doi.org/10.3390/molecules24193496
E-Prints Complutense: Archivo Institucional de la UCM
Universidad Complutense de Madrid
Digital.CSIC. Repositorio Institucional del CSIC
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Molecules, Vol 24, Iss 19, p 3496 (2019)
E-Prints Complutense. Archivo Institucional de la UCM

The n-paraphenylene family comprises chains of phenylene units linked together by C-C bonds that are between single- and double-bonded, and where n corresponds to the number of phenylene units. In this work, we compare the response of the optical pro

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::a02494af6898c9c9cad6d64c1548f0ea

The Raman fingerprint of cyclic conjugation: the case of the stabilization of cations and dications in cycloparaphenylenes

Autor: Paul J. Evans, Miklos Kertesz, Valentín G. Baonza, Shigeru Yamago, Ramesh Jasti, M. Carmen Ruiz Delgado, Juan Casado, Mercedes Taravillo, Miriam Peña Alvarez, Juan T. López Navarrete

Publikováno v: Pena Alvarez, M, Ruiz Delgado, M C, Taravillo, M, Baonza, V G, Lopez Navarrete, J T, Evans, P, Jasti, R, Yamago, S, Kertesz, M & Casado, J 2016, ' The Raman Fingerprint of Cyclic Conjugation: The case of the Stabilization of Cations and Dications in Cycloparaphenylenes ', Chemical Science . https://doi.org/10.1039/c6sc00765a

Radical cations and dications of [n]CPP from n = 5 to n = 12 have been studied by Raman spectroscopy and density functional theory. Small [n]CPP dications owe their stability to the closed-shell electronic structure imposed by cyclic conjugation surp

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::554ccd939e929fe7dba68da186bb3411
http://hdl.handle.net/2433/226369