Electronic Resource
Unparalleled selectivity and electronic structure of heterometallic [LnLn ' Ln] molecules as 3-qubit quantum gates
| العنوان: | Unparalleled selectivity and electronic structure of heterometallic [LnLn ' Ln] molecules as 3-qubit quantum gates |
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| المؤلفون: | Universitat Rovira i Virgili, Maniaki, Diamantoula; Garay-Ruiz, Diego; Barrios, Leoni A.; Martins, Daniel O. T. A.; Aguila, David; Tuna, Floriana; Reta, Daniel; Roubeau, Olivier; Bo, Carles; Aromi, Guillem |
| المصدر: | Chemical Science; 10.1039/d2sc00436d; Chemical Science. 13 (19): 5574-5581 |
| بيانات النشر: | 2022 |
| نوع الوثيقة: | Electronic Resource |
| مستخلص: | Heterometallic lanthanide [LnLn'] coordination complexes that are accessible thermodynamically are very scarce because the metals of this series have very similar chemical behaviour. Trinuclear systems of this category have not been reported. A coordination chemistry scaffold has been shown to produce molecules of type [LnLn'Ln] of high purity, i.e. exhibiting high metal distribution ability, based on their differences in ionic radius. Through a detailed analysis of density functional theory (DFT) based calculations, we discern the energy contributions that lead to the unparalleled chemical selectivity of this molecular system. Some of the previously reported examples are compared here with the newly prepared member of this exotic list, [Er2Pr(LA)(2)(LB)(2)(py)(H2O)(2)](NO3) (1) (H(2)LA and H2LB are two beta-diketone ligands). A magnetic analysis extracted from magnetization and calorimetry determinations identifies the necessary attributes for it to act as an addressable, conditional multiqubit spin-based quantum gate. Complementary ab initio calculations confirm the feasibility of these complexes as composite quantum gates, since they present well-isolated ground states with highly anisotropic and distinct g-tensors. The electronic structure of 1 has also been analyzed by EPR. Pulsed experiments have allowed the establishment of the quantum coherence of the transitions within the relevant spin states, as well as the feasibility of a coherent control of these states via nutation experiments. |
| مصطلحات الفهرس: | Chemistry (Miscellaneous),Chemistry, Multidisciplinary, Luminescence, Ln(iii), Lanthanide complexes, Gd, Energy-transfer, Contraction, Química, Materiais, Interdisciplinar, General chemistry, Farmacia, Ciências biológicas iii, Ciências biológicas i, Chemistry, multidisciplinary, Chemistry (miscellaneous), Chemistry (all), Astronomia / física, Journal Publications |
| URL: | |
| الاتاحة: | Open access content. Open access content info:eu-repo/semantics/openAccess |
| Other Numbers: | RIV oai:urv.cat:imarina:9262028 1443575495 |
| المصدر المساهم: | UNIVERSITAT ROVIRA I VIRGILI BIBLIOTECA From OAIster®, provided by the OCLC Cooperative. |
| رقم الانضمام: | edsoai.on1443575495 |
| قاعدة البيانات: | OAIster |
| الوصف غير متاح. |