Juan T. López Navarrete

University of Asia and the Pacific

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Juan Casado

Universidad de Málaga

269

V. Hernández

Hartnell College

167

M. Carmen Ruiz Delgado

Universidad de Málaga

115

F. RAMIREZ

Universidad de Málaga

Rocío Ponce Ortiz

Universidad de Málaga

Paula Mayorga Burrezo

Institut de Ciència de Materials de Barcelona

Belén Nieto‐Ortega

Madrid Institute for Advanced Studies

María Moreno Oliva

Universidad de Málaga

J. Orduna

Universidad de Zaragoza

Ted M. Pappenfus

University of Minnesota Morris

Cooperative Institutions

Universidad de Málaga

140

Centre National de la Recherche Scientifique

Consejo Superior de Investigaciones Científicas

Universidad Complutense de Madrid

Northwestern University

Universidad Autónoma de Madrid

Universidad de Zaragoza

University of Castilla-La Mancha

Chinese Academy of Sciences

Universitat de València

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Lattice dynamics and vibrational spectra of polyfuran: effective conjugation coordinate and photoexcited spectrum

Synthetic Metals (1995)

V. Hernández Juan T. López Navarrete Gianni Zotti M. Veronelli G. Zerbi

Lattice (music)

Dynamics

10.1016/0379-6779(94)02501-o

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Citations (10)

Effect of the Linkage Position on the Conjugation Length of Truxene-Based Porous Polymers: Implications for Their Sensing Performance of Nitroaromatics

Chemistry of Materials (2019)

Marcelo Echeverri Sergio Gámez‐Valenzuela Rafael C. González‐Cano Jordy Guadalupe Sandra Cortijo-Campos

Four highly porous truxene-based organic polymers have been synthesized via C–C cross coupling methodologies (under Yamamoto and Suzuki–Miyaura conditions) starting from two different brominated hexamethyltruxene isomers (2,7,12- and 3,8,13-tribromohexamethyltruxene). We have found that the linkage position in these polymers has a strong influence not only on the porosity but also on the absorption and light emitting properties of the final materials. We have performed a joint theoretical and experimental investigation to shed light on the role of the positional isomeric effect of the monomers on the degree of π-conjugation of the final materials. Our study indicates that the 2,7,12 linkage significantly enhances the electronic communication between the covalently linked building units, thus strongly influencing the conjugation length and the position of the energy levels of the final materials. The result of this work provides us with a new design tool to fine-tune the electronic properties of conjugated porous polymers with important implications for their potential applications, as demonstrated by their sensing performance for the detection of nitroaromatic compounds.

Linkage (software)

10.1021/acs.chemmater.9b01432

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Citations (26)

Chameleon-like behaviour of cyclo[n]paraphenylenes in complexes with C₇₀: on their impressive electronic and structural adaptability as probed by Raman spectroscopy

Faraday Discussions (2014)

Miriam Peña‐Álvarez Paula Mayorga Burrezo Takahiro Iwamoto Lili Qiu Miklós Kertész

A series of four 1 : 1 host-guest supramolecular complexes of [n]CPPs and C(70) have been analyzed by Raman spectroscopy in the solid state and complemented with the analysis of their spectroscopic responses under mechanical and thermal stresses. By following the frequency behaviour of the G and RBM modes we have found that [10]CPP in the [10]CPP@C(70) complex displays a more "ordered" structure. However, in [11]CPP@C(70), the nanoring becomes oval-shaped with closer contacts with the C(70) poles and less conformational restriction in the flattened region. By mechanical and thermal stresses we are able to modify the lying conformation of [10]CPP@C(70) towards a standing orientation. [11]CPP@C(70) resists pressure changes, although it tends to shift from the standing to the lying orientation by heating. As for the crystal cell, the [n]CPPs occupy the residual empty spaces while the main crystallographic positions are reserved for C(70). These are new examples of the impressive adaptability of the [n]CPP molecules to different physico-chemical environments, a chameleon-like property which reveals the delicate equilibrium provided by cyclic conjugation and ring strain.

10.1039/c4fd00103f

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Citations (31)

CCDC 1004906: Experimental Crystal Structure Determination

The Cambridge Structural Database (2014)

Xueliang Shi Paula Mayorga Burrezo Sangsu Lee Wen‐Hua Zhang Bin Zheng

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, cell parameters, space group, experimental conditions and quality measures.

10.5517/cc12qpbt

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Citations (0)

CCDC 918575: Experimental Crystal Structure Determination

The Cambridge Structural Database (2013)

Juan Casado Paula Mayorga Burrezo F. RAMIREZ Juan T. López Navarrete Saul H. Lapidus

10.5517/ccztvg2

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Ir and Raman spectra of L‐aspartic acid and isotopic derivatives

Biopolymers (1994)

Juan T. López Navarrete V. Hernández F. RAMIREZ

Abstract The ir and Raman spectra of L ‐aspartic acid, L ‐aspartic‐d 4 acid, and L ‐aspartic‐ 15 N acid as solid samples have been recorded and measured. The data obtained were used to propose a general assignment of the fundamental vibrational modes in the basis of the isotopic shifts measured and correlations with previous data reported for other amino acids and related molecules. A MNDO‐scaled semiempirical force field was obtained, and vibrational frequencies and descriptions were used to support the previous assignments based on experimental features. © 1994 John Wiley & Sons, Inc.

Aspartic acid

10.1002/bip.360340810

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Citations (71)

On the Origin of the Chiro-Optical Activity in Supramolecular Assemblies: A Quantum Chemical Study of C₃ Octopolar Systems

Journal of Chemical Theory and Computation (2011)

Belén Nieto‐Ortega Juan Casado Juan T. López Navarrete Gunther Hennrich F. RAMIREZ

First-principles quantum chemical approach has been used to understand the origin of the chiro-optical signal induced by the chiral aggregation of an achiral chromophore. The study was focused in predicting the circular dichroism (CD) spectra of different π-stacked columnar oligomers built with C3 star-shape molecular bricks. We studied the influence of the relevant structural self-assembly parameters on the CD spectra (i.e., the number of units, the rotation angle and the intermonomer distance). A detailed analysis was based on the MO topologies and the magnetic and electric transition dipole moments, the vectors which determine the CD intensities, has been conducted. We have rationalized the influence of the various structural factors of supramolecular self-assemblies in connection with the nature of their CD spectroscopic signal, which provides new avenues for structure-spectroscopic relationships.

Chromophore

Optical Rotation

10.1021/ct200505s

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Citations (5)

CCDC 786044: Experimental Crystal Structure Determination

The Cambridge Structural Database (2011)

Rafael Andreu E. Galan J. Orduna B. Villacampa R. Alicante

10.5517/ccvcy8d

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Citations (0)

Structure, polarized micro-Raman and FT-IR spectra, and ab initio calculations of 1,2-dicyanobenzene

The Journal of Physical Chemistry (1993)

Juan T. López Navarrete J.J. Quirante Miguel Á. G. Aranda V. Hernández F. RAMIREZ

ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTStructure, polarized micro-Raman and FT-IR spectra, and ab initio calculations of 1,2-dicyanobenzeneJ. T. Lopez Navarrete, J. J. Quirante, M. A. G. Aranda, V. Hernandez, and F. J. RamirezCite this: J. Phys. Chem. 1993, 97, 41, 10561–10569Publication Date (Print):October 1, 1993Publication History Published online1 May 2002Published inissue 1 October 1993https://pubs.acs.org/doi/10.1021/j100143a009https://doi.org/10.1021/j100143a009research-articleACS PublicationsRequest reuse permissionsArticle Views185Altmetric-Citations13LEARN ABOUT THESE METRICSArticle Views are the COUNTER-compliant sum of full text article downloads since November 2008 (both PDF and HTML) across all institutions and individuals. These metrics are regularly updated to reflect usage leading up to the last few days.Citations are the number of other articles citing this article, calculated by Crossref and updated daily. Find more information about Crossref citation counts.The Altmetric Attention Score is a quantitative measure of the attention that a research article has received online. Clicking on the donut icon will load a page at altmetric.com with additional details about the score and the social media presence for the given article. Find more information on the Altmetric Attention Score and how the score is calculated. Share Add toView InAdd Full Text with ReferenceAdd Description ExportRISCitationCitation and abstractCitation and referencesMore Options Share onFacebookTwitterWechatLinked InRedditEmail Other access options Get e-Alerts

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10.1021/j100143a009

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Citations (13)

REDUCCIÓN DE RESIDUALES DE VANADIO EN ACEROS DE ALTO CARBONO POR ADICIÓN DE DOLOMITA AL PROCESO DE CONVERTIDORES

ABM Proceedings (2007)

Javier Concha Osvaldo Gaete M Grbić Juan T. López Navarrete Mario Sánchez

PDF | La producción de Compañía Siderúrgica Huachipato (CSH), referida a una gran gama de aceros para abastecer el mercado chileno, considera un control riguroso de elementos no deseados en el resultado final del procesamiento del acero. Particularmente, el vanadio es un elemento al cual debe prestarse especial atención, debido a que el mineral de hierro utilizado en el proceso, y por ende el arrabio, presentan un importante porcentaje de vanadio en su composición química. El control de vanadio residual en los aceros destinados a molienda de minerales guarda directa relación con un adecuado tratamiento de la escoria de convertidor, buscando la estabilización de este elemento bajo la formación de espineles de magnesio-vanadio, evitando reversiones durante la etapa de sangrado y la metalurgia secundaria.

10.5151/2594-5300-0071

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