Some retro-pericyclic reactions, as a result of their high exothermicity and short trajectories, are the perfect ground for heavy atom tunneling molecular decompositions, also known as "quantum tunneling instability" (QTI). Considering this effect, in our first installment [Frenklach, A.; Amlani, H.; Kozuch, S. Quantum Tunneling Instability in Pericyclic Reactions. 2024, 146 (17), 11823-11834, DOI: 10.1021/jacs.4c00608], we computed several retro-Diels-Alder reactions, predicting that many studied reactants cannot be isolated. Herein, we will explore the QTI of retro-cheletropic, coarctate, and ene exemplars, where again we hypothesize the impossibility to detect their reactants.
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http://dx.doi.org/10.1021/acs.orglett.4c01635 | DOI Listing |
Nat Commun
January 2025
School of Physics, Beihang University, Haidian District, Beijing, China.
Topology is being widely adopted to understand and to categorize quantum matter in modern physics. The nexus of topology orders, which engenders distinct quantum phases with benefits to both fundamental research and practical applications for future quantum devices, can be driven by topological phase transition through modulating intrinsic or extrinsic ordering parameters. The conjoined topology, however, is still elusive in experiments due to the lack of suitable material platforms.
View Article and Find Full Text PDFPhys Rev Lett
December 2024
Massachusetts Institute of Technology, Research Laboratory of Electronics, Cambridge, Massachusetts 02139, USA.
Classical transport of electrons and holes in nanoscale devices leads to heating that severely limits performance, reliability, and efficiency. In contrast, recent theory suggests that interband quantum tunneling and subsequent thermalization of carriers with the lattice results in local cooling of devices. However, internal cooling in nanoscale devices is largely unexplored.
View Article and Find Full Text PDFPhys Rev Lett
December 2024
Brookhaven National Laboratory, Condensed Matter Physics and Materials Science Division, Upton, New York 11973, USA.
We present a protocol for detecting multipartite entanglement in itinerant many-body electronic systems using single-particle Green's functions. To achieve this, we first establish a connection between the quantum Fisher information and single-particle Green's functions by constructing a set of witness operators built out of single electron creation and destruction operators in a doubled system. This set of witness operators is indexed by a momentum k.
View Article and Find Full Text PDFPhys Chem Chem Phys
January 2025
Institute of Chemistry, Department of Fundamental Chemistry, University of São Paulo, Av. Prof. Lineu Prestes, 748 - Butantã, São Paulo, 05508-900, Brazil.
The conformational isomerization of nitrous acid (HONO) promoted by excitation of the or stretching normal coordinates is the first observed case of an infrared-induced photochemical reaction. The energy captured by the excited normal modes is redistributed into a highly excited vibrational level of the torsion normal coordinate, which is the isomerization reaction coordinate. Herein, we present simple numerical methods to qualitatively investigate the coupling between the normal coordinates and the possible gateways for vibrational energy redistribution leading to the isomerization process.
View Article and Find Full Text PDFSci Rep
January 2025
Departament de Fisica de la Materia Condensada, University of Barcelona, Marti i Franquès 1, 08028, Barcelona, Spain.
We present a nonlinear model of thermal field emission in resonant tunneling nanostructures with multiple barriers and potential wells, based on an accurate determination of the quantum potential shape and a rigorous solution of the Schrödinger equation, while considering thermal balance. The model applies to vacuum and semiconductor resonant tunnel diode and triode structures with two and three electrodes and to the general case of two-way tunneling with electrode heating. The complete balance of heat release and transfer is accounted for, with heat transport considered ballistic.
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