P
P. M. Deya
Researcher at Spanish National Research Council
Publications - 22
Citations - 633
P. M. Deya is an academic researcher from Spanish National Research Council. The author has contributed to research in topics: Cooperativity & Ab initio. The author has an hindex of 14, co-authored 22 publications receiving 614 citations. Previous affiliations of P. M. Deya include University of Sheffield & University of Barcelona.
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Journal ArticleDOI
Anion−π Interactions in Bisadenine Derivatives: A Combined Crystallographic and Theoretical Study
Angel García-Raso,Francisca M. Albertí,Juan J. Fiol,Andrés Tasada,Miquel Barceló-Oliver,Elies Molins,Daniel Escudero,Antonio Frontera,David Quiñonero,P. M. Deya +9 more
TL;DR: In this article, a high-level ab initio study of anion−π interactions involving N9-methyl-adenine, N6methyl-adenine and N9methyl-hypoxanthine was performed and it was shown that these compounds are able to interact favorably with anions.
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DABCO-Induced self-assembly of a trisporphyrin double-decker cage: thermodynamic characterization and guest recognition.
Pablo Ballester,Ana I. Oliva,Antoni Costa,P. M. Deya,Antonio Frontera,Rosa M. Gomila,Christopher A. Hunter +6 more
TL;DR: The thermodynamic characterization of the self-assembly of a Zn trisporphyrin induced by coordination with 1,4-diazabicyclo[ 2.2.2]octane to form a stable 2:3 double-decker molecular coordination cage that recognizes benzene-1,3,5-tricarboxamides is described.
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Coordination Complexes Exhibiting Anion · · ·π Interactions: Synthesis, Structure, and Theoretical Studies
Leoní A. Barrios,Guillem Aromí,Antonio Frontera,David Quiñonero,P. M. Deya,Patrick Gamez,Olivier Roubeau,Elizabeth J. Shotton,Simon J. Teat +8 more
TL;DR: Calculations have proven the ClO 4 (-)...[C 3N 3] interactions to be favorable and have revealed a synergistic effect from the combined occurrence of pi-pi stacking of triazine rings and the interaction of these moieties with perchlorate ions, as observed in the experimental systems.
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Simultaneous Interaction of Tetrafluoroethene with Anions and Hydrogen-Bond Donors: A Cooperativity Study
Ibon Alkorta,Fernando Blanco,José Elguero,Carolina Estarellas,Antonio Frontera,David Quiñonero,P. M. Deya +6 more
TL;DR: The energetic results indicate that C2F4 is a weaker anion receptor than C6F6, but in combination with the anions, it became a stronger hydrogen acceptor than C2H4.
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Energetic vs synergetic stability: a theoretical study.
TL;DR: A new concept, namely synergetic stability, is defined, which can be useful in systems where the interplay of noncovalent interactions is important, and deals with ternary complexes where ion-pi and either hydrogen bonding, dihydrogen bonding, or halogen bonding interactions coexist.