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1

Aminopyrimidine-Based Donor–Acceptor Chromophores: Push–Pull versus Aromatic Behaviour

Alejandro Ortíz, Braulio Insuasty, M. Rosario Torres, M. Ángeles Herranz, Nazario Martín, Rafael Viruela, Enrique Ortí

Journal:

European Journal of Organic Chemistry

Année:

2008

Langue:

english

Fichier:

PDF, 393 KB

english, 2008

2

The Role of Planarity vs. Non-Planarity in the Electronic Communication of TCAQ-Based Push-Pull Chromophores

Martin, Nazario, García, Raúl, Calbo, Joaquín, Viruela, Rafael, Herranz, Maria Angeles, Ortí, Enrique

Journal:

Année:

2018

Langue:

english

Fichier:

PDF, 1.40 MB

english, 2018

3

Difficulties of density functional theory in predicting the torsional potential of 2,2′-bithiophene

Pedro M. Viruela, Rafael Viruela, Enrique Orti

Journal:

International Journal of Quantum Chemistry

Année:

1998

Langue:

english

Fichier:

PDF, 212 KB

english, 1998

4

A New Type of π-Electron Donors with One Dithiole Unit: Substituted 7-(1,3-Dithiol-2-ylidene)-7-hydrobenz[d,e]anthracenes

Nazario Martín, Enrique Ortí, Luis Sánchez, Pedro M. Viruela, Rafael Viruela

Journal:

European Journal of Organic Chemistry

Année:

1999

Langue:

english

Fichier:

PDF, 359 KB

english, 1999

5

π Conjugation Across the Tetrathiafulvalene Core: Synthesis of Extended Tetrathiafulvalene Derivatives and Theoretical Analysis of their Unusual Electrochemical Properties

Najoua Terkia-Derdra, Raquel Andreu, Marc Sallé, Eric Levillain, Jesús Orduna, Javier Garín, Enrique Ortí, Rafael Viruela, Rosendo Pou-Amérigo, Bouchta Sahraoui, Alain Gorgues, Jean-François Favard, A

Journal:

Chemistry - A European Journal

Année:

2000

Langue:

english

Fichier:

PDF, 378 KB

english, 2000

6

The First sulfur-containing twin-DCNQI-type acceptor

Mar González, Dr. Pilar De Miguel, Dr. Nazario Martin, Dr. Jose Luis Segura, Prof. Carlos Seoane, Dr. Enrique Orti, Dr. Rafael Viruela, Dr. Pedro M. Viruela

Journal:

Advanced Materials

Année:

1994

Langue:

english

Fichier:

PDF, 464 KB

english, 1994

7

Concave Tetrathiafulvalene-Type Donors as Supramolecular Partners for Fullerenes

Emilio M. Pérez, María Sierra, Luis Sánchez, M. Rosario Torres, Rafael Viruela, Pedro M. Viruela, Enrique Ortí, Nazario Martín

Journal:

Angewandte Chemie

Année:

2007

Langue:

english

Fichier:

PDF, 376 KB

english, 2007

8

Diskrete supramolekulare Donor-Akzeptor-Komplexe

S. Shankara Gayathri, Mateusz Wielopolski, Emilio M. Pérez, Gustavo Fernández, Luis Sánchez, Rafael Viruela, Enrique Ortí, Dirk M. Guldi, Nazario Martín

Journal:

Angewandte Chemie

Année:

2009

Langue:

german

Fichier:

PDF, 636 KB

german, 2009

9

Concave Tetrathiafulvalene-Type Donors as Supramolecular Partners for Fullerenes

Emilio M. Pérez, María Sierra, Luis Sánchez, M. Rosario Torres, Rafael Viruela, Pedro M. Viruela, Enrique Ortí, Nazario Martín

Journal:

Angewandte Chemie International Edition

Année:

2007

Langue:

english

Fichier:

PDF, 376 KB

english, 2007

10

Discrete Supramolecular Donor–Acceptor Complexes

S. Shankara Gayathri, Mateusz Wielopolski, Emilio M. Pérez, Gustavo Fernández, Luis Sánchez, Rafael Viruela, Enrique Ortí, Dirk M. Guldi, Nazario Martín

Journal:

Angewandte Chemie International Edition

Année:

2009

Langue:

english

Fichier:

PDF, 631 KB

english, 2009

11

Highly Conjugated p-Quinonoid π-Extended Tetrathiafulvalene Derivatives: A Class of Highly Distorted Electron Donors

Marta C. Díaz, Beatriz M. Illescas, Nazario Martín, Rafael Viruela, Pedro M. Viruela, Enrique Ortí, Ortwin Brede, Israel Zilbermann, Dirk M. Guldi

Journal:

Chemistry - A European Journal

Année:

2004

Langue:

english

Fichier:

PDF, 300 KB

english, 2004

12

Electronic Interactions in a New π-Extended Tetrathiafulvalene Dimer

Marta C. Díaz, Beatriz M. Illescas, Nazario Martín, Igor F. Perepichka, Martin R. Bryce, Eric Levillain, Rafael Viruela, Enrique Ortí

Journal:

Chemistry - A European Journal

Année:

2006

Langue:

english

Fichier:

PDF, 406 KB

english, 2006

13

The Interplay of Inverted Redox Potentials and Aromaticity in the Oxidized States of New π-Electron Donors: 9-(1,3-Dithiol-2-ylidene)fluorene and 9-(1,3-Dithiol-2-ylidene)thioxanthene Derivatives

Samia Amriou, Changsheng Wang, Andrei S. Batsanov, Martin R. Bryce, Dmitrii F. Perepichka, Enrique Ortí, Rafael Viruela, José Vidal-Gancedo, Concepció Rovira

Journal:

Chemistry - A European Journal

Année:

2006

Langue:

english

Fichier:

PDF, 373 KB

english, 2006

14

A Fully Conjugated TTF–π–TCAQ System: Synthesis, Structure, and Electronic Properties

Dr. José Santos, Dr. Beatriz M. Illescas, Prof. Dr. Nazario Martín, Dr. Javier Adrio, Prof. Dr. Juan C. Carretero, Dr. Rafael Viruela, Prof. Dr. Enrique Ortí, Dr. Fabian Spänig, Prof. Dr. Dirk M. Guld

Journal:

Chemistry - A European Journal

Année:

2011

Langue:

english

Fichier:

PDF, 394 KB

english, 2011

15

Theoretical EHT study of propene adsorption on model clusters: Part II. Nickel VIIIb and zinc IIb transition metal oxides

Rafael Viruela-Martín, Ignacio Nebot-Gil, Francisco Tomás-Vert, Pedro M. Viruela-Martín

Journal:

Journal of Molecular Catalysis

Année:

1986

Langue:

english

Fichier:

PDF, 529 KB

english, 1986

16

On the electron affinity of TCNQ

Begoña Milián, Rosendo Pou-Amérigo, Rafael Viruela, Enrique Ortı́

Journal:

Chemical Physics Letters

Année:

2004

Langue:

english

Fichier:

PDF, 163 KB

english, 2004

17

A theoretical study of neutral and reduced tetracyano-p-quinodimethane (TCNQ)

Begoña Milián, Rosendo Pou-Amérigo, Rafael Viruela, Enrique Ortí

Journal:

Journal of Molecular Structure: THEOCHEM

Année:

2004

Langue:

english

Fichier:

PDF, 111 KB

english, 2004

18

Electronic spectra of tetrathiafulvalene and its radical cation: analysis of the performance of the time-dependent DFT approach

Rosendo Pou-Amérigo, Pedro M Viruela, Rafael Viruela, Mercedes Rubio, Enrique Ortı́

Journal:

Chemical Physics Letters

Année:

2002

Langue:

english

Fichier:

PDF, 140 KB

english, 2002

19

Theoretical study of the molecular structure and the stability of neutral and reduced tetracyanoethylene

Begoña Milián, Rosendo Pou-Amérigo, Rafael Viruela, Enrique Ortı́

Journal:

Chemical Physics Letters

Année:

2003

Langue:

english

Fichier:

PDF, 314 KB

english, 2003

20

Theoretical description of the Raman spectrum of a vinylene-bridged quaterthiophene oligomer

Pedro M. Viruela, Rafael Viruela, Enrique Ortı́, Juan Casado, Victor Hernández, Juan T. López Navarrete

Journal:

Journal of Molecular Structure

Année:

2003

Langue:

english

Fichier:

PDF, 166 KB

english, 2003

21

Synthesis, properties and charge transfer complexes of covalently attached [60]fullerene-tetrathiafulvalenes

Nazario Martín, Luis Sánchez, Carlos Seoane, Raquel Andreu, Javier Garín, Jesús Orduna, Enrique Ortí, Pedro M. Viruela, Rafael Viruela

Journal:

Journal of Physics and Chemistry of Solids

Année:

1997

Langue:

english

Fichier:

PDF, 418 KB

english, 1997

22

Bowl-shape electron donors with absorptions in the visible range of the solar spectrum and their supramolecular assemblies with C60

Isla, Helena, Grimm, Bruno, Pérez, Emilio M., Rosario Torres, M., Ángeles Herranz, M., Viruela, Rafael, Aragó, Juan, Ortí, Enrique, M. Guldi, Dirk, Martín, Nazario

Journal:

Chemical Science

Année:

2012

Langue:

english

Fichier:

PDF, 994 KB

english, 2012

23

Donor-π-Acceptors Containing the 10-(1,3-Dithiol-2-ylidene)anthracene Unit for Dye-Sensitized Solar Cells

Dr. Pierre-Antoine Bouit, Magdalena Marszalek, Dr. Robin Humphry-Baker, Dr. Rafael Viruela, Prof. Dr. Enrique Ortí, Dr. Shaik M. Zakeeruddin, Prof. Dr. Michael Grätzel, Dr. Juan Luis Delgado, Prof. Dr

Journal:

Chemistry - A European Journal

Année:

2012

Langue:

english

Fichier:

PDF, 763 KB

english, 2012

24

Benzoannulated quinone-type electron acceptors: evolution of the molecular and electronic structures upon reduction

Rafael Viruela, Pedro M. Viruela, E. Ortí

Journal:

Journal of Molecular Structure: THEOCHEM

Année:

1998

Langue:

english

Fichier:

PDF, 824 KB

english, 1998

25

Acene-type donors bearing one 1,3-dithiole ring

Nazario Martín, Luis Sánchez, Enrique Orti, Rafael Viruela

Journal:

Synthetic Metals

Année:

1999

Langue:

english

Fichier:

PDF, 227 KB

english, 1999

26

Weighting non-covalent forces in the molecular recognition of C60. Relevance of concave–convex complementarity

Pérez, Emilio M., Capodilupo, Agostina L., Fernández, Gustavo, Sánchez, Luis, Viruela, Pedro M., Viruela, Rafael, Ortí, Enrique, Bietti, Massimo, Martín, Nazario

Journal:

Chemical Communications

Année:

2008

Langue:

english

Fichier:

PDF, 174 KB

english, 2008

27

Synthesis and radical coupling of pyridine-bridged ?-extended tetrathiafulvalene (TTF)-type donors and push?pull analogues

Priego, Eva M., S?nchez, Luis, Angeles Herranz, M., Mart?n, Nazario, Viruela, Rafael, Ort?, Enrique

Journal:

Organic & Biomolecular Chemistry

Année:

2007

Langue:

english

Fichier:

PDF, 327 KB

english, 2007

28

Raman and Theoretical Study of the Solvent Effects on the Sizable Intramolecular Charge Transfer in the Push−Pull 5-(Dimethylamino)-5‘-nitro-2,2‘-bithiophene

Ortí, Enrique, Viruela, Pedro M., Viruela, Rafael, Effenberger, Franz, Hernández, Víctor, López Navarrete, Juan T.

Journal:

Journal of Physical Chemistry A

Année:

2005

Langue:

english

Fichier:

PDF, 154 KB

english, 2005

29

Influence of Benzoannulation on the Molecular and Electronic Structures of Tetracyanoquinodimethanes

Ortí, Enrique, Viruela, Rafael, Viruela, Pedro M.

Journal:

Journal of Physical Chemistry

Année:

1996

Langue:

english

Fichier:

PDF, 326 KB

english, 1996

30

Efficient Light Harvesters Based on the 10-(1,3-Dithiol-2-ylidene)anthracene Core

Bouit, Pierre-Antoine, Infantes, Lourdes, Calbo, Joaquín, Viruela, Rafael, Ortí, Enrique, Delgado, Juan Luis, Martín, Nazario

Journal:

Organic Letters

Année:

2013

Langue:

english

Fichier:

PDF, 875 KB

english, 2013

31

Controlled Self-Assembly of Electron Donor Nanotubes

López, Juan Luis, Pérez, Emilio M., Viruela, Pedro M., Viruela, Rafael, Ortí, Enrique, Martín, Nazario

Journal:

Organic Letters

Année:

2009

Langue:

english

Fichier:

PDF, 1.20 MB

english, 2009

32

Single-Component Donor-Acceptor Organic Semiconductors Derived from TCNQ

Bando, Paloma, Martin, Nazario, Segura, Jose L., Seoane, Carlos, Orti, Enrique, Viruela, Pedro M., Viruela, Rafael, Albert, Armando, Cano, Felix H.

Journal:

Journal of Organic Chemistry

Année:

1994

Langue:

english

Fichier:

PDF, 3.29 MB

english, 1994

33

Synthesis and Electrochemistry of Electronegative Spiroannelated Methanofullerenes: Theoretical Underpinning of the Electronic Effect of Addends and a Reductive Cyclopropane Ring-Opening Reaction

Knight, Brian, Martín, Nazario, Ohno, Toshinobu, Ortí, Enrique, Rovira, Concepció, Veciana, Jaume, Vidal-Gancedo, José, Viruela, Pedro, Viruela, Rafael, Wudl, Fred

Journal:

Journal of the American Chemical Society

Année:

1997

Langue:

english

Fichier:

PDF, 290 KB

english, 1997

34

Censo de población con problemas auditivos de la provincia de valencia

Mansanet Mansanet, Isidro, Izquierdo Ros, Gaspar, Viruela Carreres, Rafael, Viruala Martín, Teresa, Rubio Camarasa, Amparo, Fernández March, Carmen

Journal:

Revista de Logopedia, Foniatría y Audiología

Année:

1983

Langue:

spanish

Fichier:

PDF, 36 KB

spanish, 1983

35

Synthesis, Properties, and Theoretical Characterization of Largely π-Extended Tetrathiafulvalene Derivatives with Quinonoid Structures

Martín, Nazario, Sánchez, Luis, Seoane, Carlos, Ortí, Enrique, Viruela, Pedro M., Viruela, Rafael

Journal:

Journal of Organic Chemistry

Année:

1998

Langue:

english

Fichier:

PDF, 250 KB

english, 1998

36

Reaction of C 60 with Sultines: Synthesis, Electrochemistry, and Theoretical Calculations of Organofullerene Acceptors

Illescas, Beatriz M., Martín, Nazario, Seoane, Carlos, Ortí, Enrique, Viruela, Pedro M., Viruela, Rafael, de la Hoz, Antonio

Journal:

Journal of Organic Chemistry

Année:

1997

Langue:

english

Fichier:

PDF, 221 KB

english, 1997

37

A Bis-exTTF Macrocyclic Receptor That Associates C 60 with Micromolar Affinity

Isla, Helena, Gallego, María, Pérez, Emilio M., Viruela, Rafael, Ortí, Enrique, Martín, Nazario

Journal:

Journal of the American Chemical Society

Année:

2010

Langue:

english

Fichier:

PDF, 539 KB

english, 2010

38

Synthesis and Characterization of 11,11,12,12-Tetracyano-1,4-anthraquinodimethanes (1,4-TCAQs): Novel Electron Acceptors with Photoinduced Charge-Transfer Properties

Martin, Nazario, Segura, Jose L., Seoane, Carlos, de la Cruz, Pilar, Langa, Fernando, Orti, Enrique, Viruela, Pedro M., Viruela, Rafael

Journal:

Journal of Organic Chemistry

Année:

1995

Langue:

english

Fichier:

PDF, 2.60 MB

english, 1995

39

Synthesis and Characterization of Novel Donor-Acceptor Naphthoquinone Derivatives with Photoinduced Charge-Transfer Properties. A Joint Experimental and Theoretical Study

Illescas, Beatriz, Martin, Nazario, Segura, Jose L., Seoane, C., Orti, Enrique, Viruela, Pedro M., Viruela, Rafael

Journal:

Journal of Organic Chemistry

Année:

1995

Langue:

english

Fichier:

PDF, 2.43 MB

english, 1995

40

Geometric Structure and Torsional Potential of Biisothianaphthene. A Comparative DFT and ab Initio Study

Viruela, Pedro M., Viruela, Rafael, Ortí, Enrique, Brédas, Jean-Luc

Journal:

Journal of the American Chemical Society

Année:

1997

Langue:

english

Fichier:

PDF, 234 KB

english, 1997

41

Synthesis, Characterization, and Theoretical Study of Sulfur-Containing Donor−Acceptor DCNQI Derivatives with Photoinduced Intramolecular Electron Transfer

Martín, Nazario, Segura, José L., Seoane, Carlos, Ortí, Enrique, Viruela, Pedro M., Viruela, Rafael, Albert, Armando, Cano, Félix H., Vidal-Gancedo, José, Rovira, Concepció, Veciana, Jaume

Journal:

Journal of Organic Chemistry

Année:

1996

Langue:

english

Fichier:

PDF, 406 KB

english, 1996

42

First signals of electrochemically oxidized species of TTF and TTM-TTF: A study by in situ spectroelectrochemical FTIR and DFT calculations

Wartelle, Corinne, Viruela, Rafael, Viruela, Pedro M., Sauvage, Fran�ois X., Sall�, Marc, Ort�, Enrique, Levillain, Eric, Le Derf, Franck

Journal:

Physical Chemistry Chemical Physics

Année:

2003

Langue:

english

Fichier:

PDF, 498 KB

english, 2003

43

6,11-Bis(dicyanomethylene)-12-methylbenzo[b]phenoxazine and 6,11-dicyanimino-12-methylbenzo[b]phenoxazine as novel donor?acceptor systems

Illescas, Beatriz, Mart�n, Nazario, Segura, Jos� L., Seoane, Carlos, Ort�, Enrique, Viruela, Pedro M., Viruela, Rafael

Journal:

Journal of Materials Chemistry

Année:

1995

Langue:

english

Fichier:

PDF, 1.64 MB

english, 1995

44

MINDO/3 study of the isomerization of 1-methylcyclohexylium ion to 1-ethylcyclopentylium ion. An alternative mechanism for this branching rearrangement

Viruela-Mart�n, Pedro M., Nebot-Gil, Ignacio, Viruela-Mart�n, Rafael, Planelles, Josep

Journal:

Journal of the Chemical Society Perkin Transactions 2

Année:

1987

Langue:

english

Fichier:

PDF, 530 KB

english, 1987

45

New 1,3-dithiol-2-ylidene donor–π–acceptor chromophores with intramolecular charge-transfer properties, and related donor–π–donor molecules: synthesis, electrochemistry, X-ray crystal structures, non-linear optical properties and theoretical calculations

Moore, Adrian J., Bryce, Martin R., Batsanov, Andrei S., Green, Andrew, Howard, Judith A. K., Mckervey, Anthony, Mcguigan, Peter, Ledoux, Isabelle, Ortí, Enrique, Viruela, Rafael, Viruela, Pedro M., T

Journal:

Journal of Materials Chemistry

Année:

1998

Langue:

english

Fichier:

PDF, 293 KB

english, 1998

46

New functionalized tetrathiafulvalenes: X-ray crystal structures and physico-chemical properties of TTF?C(O)NMe2 and TTF?C(O)?O?C4H9: a joint experimental and theoretical study

Batsanov, Andrei S., Bryce, Martin R., Heaton, Julie N., Moore, Adrian J., Skabara, Peter J., Howard, Judith A. K., Ort�, Enrique, Viruela, Pedro M., Viruela, Rafael

Journal:

Journal of Materials Chemistry

Année:

1995

Langue:

english

Fichier:

PDF, 1.46 MB

english, 1995

47

Experimental and theoretical studies into the structural perturbations between neutral, oxidised and reduced forms of 1,4-dithiinoquinoxaline derivatives

Skabara, Peter J., Berridge, Rory, Prescott, Karen, Goldenberg, Leonid M., Ortí, Enrique, Viruela, Rafael, Pou-Amérigo, Rosendo, Batsanov, Andrei S., Howard, Judith A. K., Coles, Simon J., Hursthouse,

Journal:

Journal of Materials Chemistry

Année:

2000

Langue:

english

Fichier:

PDF, 355 KB

english, 2000

48

A theoretical study of the molecular and electronic structure of benzoannulated tetracyanoquinodimethanes

Ort�, Enrique, Viruela, Rafael, Viruela, Pedro M.

Journal:

Journal of Materials Chemistry

Année:

1995

Langue:

english

Fichier:

PDF, 1.82 MB

english, 1995

49

Theoretical and structural studies of lithium cyclic amide conformations. Monomers and aggregates

Schulz, Hernan, Nudelman, Norma, Viruela-Martin, Pedro, Viruela-Martin, Rafael, Tomas-Vert, Francisco

Journal:

Journal of the Chemical Society Perkin Transactions 2

Année:

2000

Langue:

english

Fichier:

PDF, 265 KB

english, 2000

50

A proposal for a branching mechanism in medium-sized cycloalkanes: MINDO/3 study of the hypersurface for isomerization of cyclohexylium to 1-methylcyclopentylium ion

Viruela-Mart�n, Pedro M., Nebot, Ignacio, Viruela-Mart�n, Rafael, Planelles, Josep

Journal:

Journal of the Chemical Society Perkin Transactions 2

Année:

1986

Langue:

english

Fichier:

PDF, 559 KB

english, 1986