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Molecules for Logic

A special issue of Molecules (ISSN 1420-3049). This special issue belongs to the section "Molecular Structure".

Deadline for manuscript submissions: closed (31 March 2023) | Viewed by 6068

Special Issue Editor

CICECO-Aveiro Institute of Materials, Department of Physics, University of Aveiro, 3810-193 Aveiro, Portugal
Interests: luminescent materials based on trivalent lanthanide ions; luminescent materials as nanoscale thermal probes; luminescence thermometry; molecular logical gates
Special Issues, Collections and Topics in MDPI journals

Special Issue Information

Dear Colleagues,

The remarkable advances in molecular logic reported in the last decade demonstrated the potential of luminescent molecules for logical operations, paradigm-changing concerning silicon-based electronics. Contributions on new methodologies for performing logical operations using the well-known chemical species and recent developments on new molecules for computing are gaining increasing interest and triggering exciting developments that may impact positively the development of this field. This Special Issue is dedicated to featuring the latest research that is ongoing in the field of molecular logic devices. It is expected that most submissions will focus on the development of molecular species for performing logical operations, but reports on well-known molecules with fresh applications to logic will also be considered. Original research (communications, full papers, and reviews) that discuss innovative methodologies for molecular logics are therefore welcome.

Prof. Dr. Carlos D.S. Brites
Guest Editor

Manuscript Submission Information

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Keywords

  • Molecular logic
  • Logical computing
  • Molecular switches
  • Logical gates

Published Papers (3 papers)

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Research

16 pages, 1082 KiB  
Article
Multi-State Second-Order Nonlinear Optical Switches Incorporating One to Three Benzazolo-Oxazolidine Units: A Quantum Chemistry Investigation
Molecules 2022, 27(9), 2770; https://doi.org/10.3390/molecules27092770 - 26 Apr 2022
Cited by 3 | Viewed by 1594
Abstract
This contribution employs quantum chemistry methods to describe the variations of the second nonlinear optical responses of molecular switches based on benzazolo-oxazolidine (BOX) units, connected by π-linkers, along their successive opening/closing. Under the fully closed forms, all of them display negligible first [...] Read more.
This contribution employs quantum chemistry methods to describe the variations of the second nonlinear optical responses of molecular switches based on benzazolo-oxazolidine (BOX) units, connected by π-linkers, along their successive opening/closing. Under the fully closed forms, all of them display negligible first hyperpolarizability (β) values. When one BOX is opened, which is sketched as CO, a push–pull π-conjugated segment is formed, having the potential to enhance β and to set the depolarization ratio (DR) to its one-dimensional-like value (DR = 5). This is observed when only one BOX is open, either for the monoBOX species (CO) or for the diBOX (CCCO) and triBOX (CCCCCO) compounds, i.e., when the remaining BOXs stay closed. The next BOX openings have much different effects. For the diBOXs, the second opening (COOO) is associated with a decrease of β, and this decrease is tuned by controlling the conformation of the π-linker, i.e., the centrosymmetry of the whole compound because β vanishes in centrosymmetric compounds. For the triBOXs, the second opening gives rise to a Λ-shape compound, with a negligible change of β, but a decrease of the DR whereas, along the third opening, β remains similar and the DR decreases to the typical value of octupolar systems (DR = 1.5). Full article
(This article belongs to the Special Issue Molecules for Logic)
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15 pages, 1367 KiB  
Article
Reversible Humidity-Driven Transformation of a Bimetallic {EuCo} Molecular Material: Structural, Sorption, and Photoluminescence Studies
Molecules 2021, 26(4), 1102; https://doi.org/10.3390/molecules26041102 - 19 Feb 2021
Cited by 1 | Viewed by 1986
Abstract
Functional molecule-based solids built of metal complexes can reveal a great impact of external stimuli upon their optical, magnetic, electric, and mechanical properties. We report a novel molecular material, {[EuIII(H2O)3(pyrone)4][CoIII(CN)6]}·n [...] Read more.
Functional molecule-based solids built of metal complexes can reveal a great impact of external stimuli upon their optical, magnetic, electric, and mechanical properties. We report a novel molecular material, {[EuIII(H2O)3(pyrone)4][CoIII(CN)6]}·nH2O (1, n = 2; 2, n = 1), which was obtained by the self-assembly of Eu3+ and [Co(CN)6]3− ions in the presence of a small 2-pyrrolidinone (pyrone) ligand in an aqueous medium. The as-synthesized material, 1, consists of dinuclear cyanido-bridged {EuCo} molecules accompanied by two H-bonded water molecules. By lowering the relative humidity (RH) below 30% at room temperature, 1 undergoes a single-crystal-to-single-crystal transformation related to the partial removal of crystallization water molecules which results in the new crystalline phase, 2. Both 1 and 2 solvates exhibit pronounced EuIII-centered visible photoluminescence. However, they differ in the energy splitting of the main emission band of a 5D07F2 origin, and the emission lifetime, which is longer in the partially dehydrated 2. As the 12 structural transformation can be repeatedly reversed by changing the RH value, the reported material shows a room-temperature switching of detailed luminescent features including the ratio between emission components and the emission lifetime values. Full article
(This article belongs to the Special Issue Molecules for Logic)
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11 pages, 2461 KiB  
Article
Bis(dicarbollide) Complexes of Transition Metals as a Platform for Molecular Switches. Study of Complexation of 8,8′-Bis(methylsulfanyl) Derivatives of Cobalt and Iron Bis(dicarbollides)
Molecules 2020, 25(23), 5745; https://doi.org/10.3390/molecules25235745 - 05 Dec 2020
Cited by 10 | Viewed by 1855
Abstract
Complexation of the 8,8′-bis(methylsulfanyl) derivatives of cobalt and iron bis(dicarbollides) [8,8′-(MeS)2-3,3′-M(1,2-C2B9H10)2] (M = Co, Fe) with copper, silver, palladium and rhodium leads to the formation of the corresponding chelate complexes, which is [...] Read more.
Complexation of the 8,8′-bis(methylsulfanyl) derivatives of cobalt and iron bis(dicarbollides) [8,8′-(MeS)2-3,3′-M(1,2-C2B9H10)2] (M = Co, Fe) with copper, silver, palladium and rhodium leads to the formation of the corresponding chelate complexes, which is accompanied by a transition from the transoid to the cisoid conformation of the bis(dicarbollide) complex. This transition is reversible and can be used in design of coordination-driven molecular switches based on transition metal bis(dicarbollide) complexes. The solid-state structures of {(Ph3P)ClPd[8,8′- (MeS)2-3,3′-Co(1,2-C2B9H10)22-S,S′]} and {(COD)Rh[8,8′-(MeS)2-3,3′-Co(1,2-C2B9H10)22-S,S′]} were determined by single crystal X-ray diffraction. Full article
(This article belongs to the Special Issue Molecules for Logic)
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