Long spin coherence times on C$_{59}$N-C$_{60}$ heterodimer radicals entrapped in cycloparaphenylene rings

Tanuma, Yuri (avtor), Knaflič, Tilen (avtor), Anézo, Bastien (avtor), Stangel, Christina (avtor), Volkmann, Jannis (avtor), Tagmatarchis, Nikos (avtor), Wegner, Hermann A. (avtor), Arčon, Denis (avtor), Ewels, Christopher Paul (avtor)

We investigate the effect of introducing C$_{60}$ to (C$_{59}$N)$_2$ and the molecular ring, [10]cycloparaphenylene ([10]CPP), using electron paramagnetic resonance (EPR) measurements supported by density functional theory (DFT) calculations. Incorporating C$_{60}$ into the system results in the formation of novel stable [10]CPP ⊃ C$_{59}$N-C$_{60}$$^•$ ⊂ [10]CPP encapsulated heterodimer radicals whose spin is localized on C$_{60}$ and manifests in EPR measurements as a signal at g = 2.0022 without any discernable hyperfine structure. This signal has an exceptionally long spin coherence lifetime of 440 μs at room temperature, far longer than any of the radical fullerene species reported in the literature and over twice that of the C$_{59}$N$^•$ ⊂ [10]CPP radical. The radicals are long-lived, with EPR signal still strong over a year after thermal activation. The [10]CPP ⊃ C$_{59}$N-C$_{60}$$^•$ ⊂ [10]CPP oligomer is more stable than C$_{59}$N$^•$ ⊂ [10]CPP radicals and becomes the predominant species at room temperature after annealing. Its formation is thermally activated with an experimental activation energy of only 0.189 eV, as compared to 0.485 eV for the pure azafullerene-[10]CPP case. The [10]CPP ⊃ C$_{59}$N-C$_{60}$$^•$ ⊂ [10]CPP radicals discovered here could be used to bridge C$_{59}$N$^•$ ⊂ [10]CPPs acting as qubits, providing effective coupling between them.

• Jezik: Angleški jezik
• Ključne besede: physical chemistry
• Vrsta gradiva: Članek v reviji
• Tipologija: 1.01 - Izvirni znanstveni članek
• Organizacija: FMF - Fakulteta za matematiko in fiziko
• Status publikacije: Objavljeno
• Različica publikacije: Objavljena publikacija
• Leto izida: 2023
• Št. strani: Str. 6552-6561
• Številčenje: Vol. 127, iss. 13
• PID: 20.500.12556/RUL-147226
• UDK: 544
• ISSN pri članku: 1932-7447
• DOI: 10.1021/acs.jpcc.2c09049
• COBISS.SI-ID: 148195843
• Datum objave v RUL: 27.06.2023

Gradivo je del revije

• Naslov: The journal of physical chemistry. C
• Založnik: American Chemical Society
• ISSN: 1932-7447
• COBISS.SI-ID: 28455429

Licence

• Licenca: CC BY 4.0, Creative Commons Priznanje avtorstva 4.0 Mednarodna
• Povezava: http://creativecommons.org/licenses/by/4.0/deed.sl
• Opis: To je standardna licenca Creative Commons, ki daje uporabnikom največ možnosti za nadaljnjo uporabo dela, pri čemer morajo navesti avtorja.

Sekundarni jezik

• Jezik: Slovenski jezik
• Ključne besede: fizikalna kemija