Zum Hauptinhalt springen
Artikel
Lizenziert
Nicht lizenziert Erfordert eine Authentifizierung

Radical-enhanced intersystem crossing, spin dipolar interaction and electron exchange in perylenebisimide-TEMPO dyads

  • ORCID logo , , , , ORCID logo , , ORCID logo EMAIL logo , ORCID logo EMAIL logo , ORCID logo EMAIL logo und EMAIL logo
Veröffentlicht/Copyright: 9. Juli 2025
Pure and Applied Chemistry
Aus der Zeitschrift Pure and Applied Chemistry Band 98 Heft 1

Abstract

4-Amino-2,2,6,6-tetramethyl-1-piperidinyloxyl (TEMPO) radical was linked to perylene-3,4:9,10-bis(dicarboximide) (PBI) at varying distances and orientations. PBI-TEMPO dyads with the radical linked at the bay-position show a charge transfer absorption band in the UV−vis absorption spectra. With increasing solvent polarity, a fluorescence quenching is observed for these dyads, whereas for a derivative with TEMPO attached at the imide-position, such polarity dependency for fluorescence spectra was not observed. Steady state and femtosecond/nanosecond time-resolved optical spectroscopy confirmed the occurrence of radical-enhanced intersystem crossing (REISC. k ISC = (23 ps)−1 − (0.5 ns)−1). The lifetime of the 3*PBI state (τ T = 1.0–7.6 μs) depends on the distance and orientations between TEMPO and PBI units. The results indicate that stronger electron spin–spin dipolar interaction (v dd) between the radical and the chromophore improve REISC efficiency. Time-resolved electron paramagnetic resonance (TREPR) spectroscopy demonstrates different electron exchange interactions (J TR) in the dyads, varying from ferromagnetic interaction corresponding to strong exchange regime to weak antiferromagnetic exchange interaction with increasing the distance between PBI and TEMPO units. Transient-nutation experiments further clarify the TREPR signals. DFT calculations indicate that changes in the dyad structure alter the exchange coupling from ferromagnetic (J TR = 0.47 cm−1) to antiferromagnetic (J TR = −0.03 cm−1 and −0.01 cm−1).

Keywords: distances and orientations; electron exchange interactions; electron spin–spin dipolar interaction; exchange regime; ICPOC-26; radical-enhanced intersystem crossing
Corresponding authors: Jianzhang Zhao, State Key Laboratory of Fine Chemicals, Frontier Science Center of Smart Materials, School of Chemical Engineering, Dalian University of Technology, E-208 West Campus, 2 Ling Gong Rd., Dalian 116024, P.R. China, e-mail: ; Violeta K. Voronkova, Zavoisky Physical-Technical Institute, FRC Kazan Scientific Center of RAS, Sibirsky Tract 10/7, Kazan 420029, Russia, e-mail: ; Mariangela Di Donato, LENS (European Laboratory for Non-Linear Spectroscopy), via N. Carrara 1, 50019 Sesto Fiorentino (FI), Firenze, Italy; and ICCOM-CNR, via Madonna del Piano 10, 50019 Sesto Fiorentino (FI), Italy, e-mail: ; and Yuki Kurashige, Department of Chemistry, Graduate School of Science, Kyoto University, Kitashirakawa Oiwake-cho, Sakyo-ku, Kyoto, Japan, e-mail:
Article note: A collection of invited papers based on presentations at the International Conference on Physical Organic Chemistry held on 18-22 August 2024 in Beijing, China. Zhanjun Li, Andrey A. Sukhanov and Takuma Ito contributed equally to this work.

Funding source: National Natural Science Foundation of China

Award Identifier / Grant number: 22473021 and U2001222

Funding source: Fundamental Research Funds for the Central Universities

Award Identifier / Grant number: DUT22LAB610

Funding source: National Key Research and Development Program of China

Award Identifier / Grant number: No. 2023YFE0197600

Funding source: Kazan Scientific Centre, Russian Academy of Sciences

Funding source: Research and Innovation Team Project of Dalian University of Technology

Award Identifier / Grant number: DUT2022TB10

Acknowledgments

J.Z. thanks the NSFC (22473021 and U2001222), the National Key Research and Development Program of China (the Ministry of Science and Technology, No. 2023YFE0197600), the Research and Innovation Team Project of Dalian University of Technology (DUT2022TB10), the Fundamental Research Funds for the Central Universities (DUT22LAB610) and the State Key Laboratory of Fine Chemicals for financial support. A.A.S. and V.K.V. acknowledge financial support from the government assignment for FRC Kazan Scientific Centre of RAS. M.D.D. thanks the European Union’s Horizon 2020 research and innovation program under grant agreement NO. 871124 Laser lab-Europe for the support.

  1. Research ethics: Not applicable.

  2. Informed consent: Not applicable.

  3. Author contributions: All authors have accepted responsibility for the entire content of this manuscript and approved its submission.

  4. Use of Large Language Models, AI and Machine Learning Tools: None declared.

  5. Conflict of interest: The authors state no conflict of interest.

  6. Research funding: J.Z. thanks the NSFC (22473021 and U2001222), the National Key Research and Development Program of China (the Ministry of Science and Technology, No. 2023YFE0197600), the Research and Innovation Team Project of Dalian University of Technology (DUT2022TB10), the Fundamental Research Funds for the Central Universities (DUT22LAB610) and the State Key Laboratory of Fine Chemicals for financial support. A.A.S. and V.K.V. acknowledge financial support from the government assignment for FRC Kazan Scientific Centre of RAS. M.D.D. thanks the European Union’s Horizon 2020 research and innovation program under grant agreement NO. 871124 Laser lab-Europe for the support.

  7. Data availability: The data that support the findings of this study are available in the Supporting Information of this article.

References

1. Shi, L.; Xia, W. Chem. Soc. Rev. 2012, 41, 7687. https://doi.org/10.1039/C2CS35203F.Suche in Google Scholar

2. Xuan, J.; Xiao, W. Angew. Chem., Int. Ed. 2012, 51, 6828. https://doi.org/10.1002/anie.201200223.Suche in Google Scholar PubMed

3. Hari, D. P.; König, B. Chem. Comm. 2014, 50, 6688. https://doi.org/10.1039/C4CC00751D.Suche in Google Scholar PubMed

4. Lyu, X.; Huang, S.; Song, H.; Liu, Y.; Wang, Q. RSC Adv. 2019, 9, 36213. https://doi.org/10.1039/C9RA06596B.Suche in Google Scholar

5. Barzanò, G.; Mao, R.; Garreau, M.; Waser, J.; Hu, X. Org. Lett. 2020, 22, 5412. https://doi.org/10.1021/acs.orglett.0c01769.Suche in Google Scholar PubMed

6. You, Y.; Jeong, D. Y. Synlett 2022, 33, 1142. https://doi.org/10.1055/a-1608-5633.Suche in Google Scholar

7. Kamkaew, A.; Lim, S. H.; Lee, H. B.; Kiew, L. V.; Chung, L. Y.; Burgess, K. Chem. Soc. Rev. 2013, 42, 77. https://doi.org/10.1039/C2CS35216H.Suche in Google Scholar

8. Wang, Y.; Huang, X.; Tang, Y.; Zou, J.; Wang, P.; Zhang, Y.; Si, W.; Huang, W.; Dong, X. Chem. Sci. 2018, 9, 8103. https://doi.org/10.1039/C8SC03386B.Suche in Google Scholar

9. Zou, J.; Wang, P.; Wang, Y.; Liu, G.; Zhang, Y.; Zhang, Q.; Shao, J.; Si, W.; Huang, W.; Dong, X. Chem. Sci. 2019, 10, 268. https://doi.org/10.1039/C8SC02443J.Suche in Google Scholar

10. Wu, S.; Li, A.; Zhao, X.; Zhang, C.; Yu, B.; Zhao, N.; Xu, F. ACS Appl. Mater. Interfaces 2019, 11, 17177. https://doi.org/10.1021/acsami.9b01149.Suche in Google Scholar PubMed

11. Singh-Rachford, T. N.; Castellano, F. N. Coord. Chem. Rev. 2010, 254, 2560. https://doi.org/10.1016/j.ccr.2010.01.003.Suche in Google Scholar

12. Häring, M.; Pérez-Ruiz, R.; Jacobi von Wangelin, A.; Díaz, D. D. Chem. Comm. 2015, 51, 16848. https://doi.org/10.1039/C5CC06917C.Suche in Google Scholar PubMed

13. Schad, C.; Avellanal-Zaballa, E.; Rebollar, E.; Ray, C.; Duque-Redondo, E.; Moreno, F.; Maroto, B. L.; Bañuelos, J.; García-Moreno, I.; De la Moya, S. Phys. Chem. Chem. Phys. 2022, 24, 27441. https://doi.org/10.1039/D2CP04006A.Suche in Google Scholar

14. Zhao, J.; Wu, W.; Sun, J.; Guo, S. Chem. Soc. Rev. 2013, 42, 5323. https://doi.org/10.1039/C3CS35531D.Suche in Google Scholar

15. Zhao, J.; Xu, K.; Yang, W.; Wang, Z.; Zhong, F. Chem. Soc. Rev. 2015, 44, 8904. https://doi.org/10.1039/C5CS00364D.Suche in Google Scholar

16. Lee, J. M.; Park, J.; Yoon, J. H.; Kim, J.; Kim, J. P. ChemPhotoChem 2023, 7, e202200326. https://doi.org/10.1002/cptc.202200326.Suche in Google Scholar

17. Wei, Y.; Zhou, M.; Zhou, Q.; Zhou, X.; Liu, S.; Zhang, S.; Zhang, B. Phys. Chem. Chem. Phys. 2017, 19, 22049. https://doi.org/10.1039/C7CP03840B.Suche in Google Scholar

18. Li, Y.; Wei, Y.; Zhou, X. J. Photochem. Photobiol. A 2020, 400, 112713. https://doi.org/10.1016/j.jphotochem.2020.112713.Suche in Google Scholar

19. Yanai, N.; Kozue, M.; Amemori, S.; Kabe, R.; Adachi, C.; Kimizuka, N. J. Mater. Chem. C 2016, 4, 6447. https://doi.org/10.1039/C6TC01816E.Suche in Google Scholar

20. Singh-Rachford, T. N.; Castellano, F. N. J. Phys. Chem. A 2009, 113, 5912. https://doi.org/10.1021/jp9021163.Suche in Google Scholar PubMed

21. Hou, Y.; Liu, Q.; Zhao, J. Chem. Comm. 2020, 56, 1721. https://doi.org/10.1039/C9CC09058D.Suche in Google Scholar

22. Wang, Z.; Toffoletti, A.; Hou, Y.; Zhao, J.; Barbon, A.; Dick, B. Chem. Sci. 2021, 12, 2829. https://doi.org/10.1039/D0SC05494A.Suche in Google Scholar PubMed PubMed Central

23. Xiao, X.; Zhao, X.; Chen, X.; Zhao, J. Molecules 2023, 28, 2170. https://doi.org/10.3390/molecules28052170.Suche in Google Scholar PubMed PubMed Central

24. Xiao, X.; Ye, K.; Imran, M.; Zhao, J. Appl. Sci. 2022, 12, 9933. https://doi.org/10.3390/app12199933.Suche in Google Scholar

25. Zhang, X.; Wang, Z.; Hou, Y.; Yan, Y.; Zhao, J.; Dick, B. J. Mater. Chem. C 2021, 9, 11944. https://doi.org/10.1039/D1TC02535J.Suche in Google Scholar

26. Bassan, E.; Gualandi, A.; Cozzi, P. G.; Ceroni, P. Chem. Sci. 2021, 12, 6607. https://doi.org/10.1039/D1SC00732G.Suche in Google Scholar PubMed PubMed Central

27. Zhao, J.; Chen, K.; Hou, Y.; Che, Y.; Liu, L.; Jia, D. Org. Biomol. Chem. 2018, 16, 3692. https://doi.org/10.1039/C8OB00421H.Suche in Google Scholar PubMed

28. Lee, Y. L.; Chou, Y. T.; Su, B. K.; Wu, C. C.; Wang, C. H.; Chang, K. H.; Ho, J. A.; Chou, P. T. J. Am. Chem. Soc. 2022, 144, 17249. https://doi.org/10.1021/jacs.2c07967.Suche in Google Scholar PubMed

29. Hu, W.; Zhang, X. F.; Liu, M. J. Phys. Chem. C 2021, 125, 5233. https://doi.org/10.1021/acs.jpcc.1c00001.Suche in Google Scholar

30. Nguyen, V. N.; Qi, S.; Kim, S.; Kwon, N.; Kim, G.; Yim, Y.; Park, S.; Yoon, J. J. Am. Chem. Soc. 2019, 141, 16243. https://doi.org/10.1021/jacs.9b09220.Suche in Google Scholar PubMed

31. Liu, Y.; Zhao, J. Chem. Comm. 2012, 48, 3751. https://doi.org/10.1039/C2CC30345K.Suche in Google Scholar PubMed

32. Wu, W.; Zhao, J.; Sun, J.; Guo, S. J. Org. Chem. 2012, 77, 5305. https://doi.org/10.1021/jo300613g.Suche in Google Scholar PubMed

33. Huang, L.; Yu, X.; Wu, W.; Zhao, J. Org. Lett. 2012, 14, 2594. https://doi.org/10.1021/ol3008843.Suche in Google Scholar PubMed

34. Smith, M. B.; Michl, J. Chem. Rev. 2010, 110, 6891. https://doi.org/10.1021/cr1002613.Suche in Google Scholar PubMed

35. Filatov, M. A.; Karuthedath, S.; Polestshuk, P. M.; Savoie, H.; Flanagan, K. J.; Sy, C.; Sitte, E.; Telitchko, M.; Laquai, F.; Boyle, R. W.; Senge, M. O. J. Am. Chem. Soc. 2017, 139, 6282. https://doi.org/10.1021/jacs.7b00551.Suche in Google Scholar PubMed

36. Lv, M.; Yu, Y.; Sandoval-Salinas, M. E.; Xu, J.; Lei, Z.; Casanova, D.; Yang, Y.; Chen, J. Angew. Chem., Int. Ed. 2020, 59, 22179. https://doi.org/10.1002/anie.202009439.Suche in Google Scholar PubMed

37. Wang, Z.; Zhao, J.; Barbon, A.; Toffoletti, A.; Liu, Y.; An, Y.; Xu, L.; Karatay, A.; Yaglioglu, H. G.; Yildiz, E. A.; Hayvali, M. J. Am. Chem. Soc. 2017, 139, 7831. https://doi.org/10.1021/jacs.7b02063.Suche in Google Scholar PubMed

38. Wang, Z.; Gao, Y.; Hussain, M.; Kundu, S.; Rane, V.; Hayvali, M.; Yildiz, E. A.; Zhao, J.; Yaglioglu, H. G.; Das, R.; Luo, L.; Li, J. Chem. Eur. J. 2018, 24, 18663. https://doi.org/10.1002/chem.201804212.Suche in Google Scholar PubMed

39. Zhang, X.; Sukhanov, A. A.; Yildiz, E. A.; Kandrashkin, Y. E.; Zhao, J.; Yaglioglu, H. G.; Voronkova, V. K. ChemPhysChem 2021, 22, 55. https://doi.org/10.1002/cphc.202000861.Suche in Google Scholar PubMed

40. Turro, N. J.; Ramamurthy, V.; Scaiano, J. C. Principles of Molecular Photochemistry: An Introduction; University Science Books: Sausalito, CA, 2009.Suche in Google Scholar

41. Arbogast, J. W.; Darmanyan, A. P.; Foote, C. S.; Diederich, F. N.; Whetten, R. L.; Rubin, Y.; Alvarez, M. M.; Anz, S. J. J. Phys. Chem. 1991, 95, 11. https://doi.org/10.1021/j100154a006.Suche in Google Scholar

42. Margulies, E. A.; Logsdon, J. L.; Miller, C. E.; Ma, L.; Simonoff, E.; Young, R. M.; Schatz, G. C.; Wasielewski, M. R. J. Am. Chem. Soc. 2017, 139, 663. https://doi.org/10.1021/jacs.6b07721.Suche in Google Scholar PubMed

43. Filatov, M. A. Org. Biomol. Chem. 2020, 18, 10. https://doi.org/10.1039/C9OB02170A.Suche in Google Scholar

44. Hu, M.; Sukhanov, A. A.; Zhang, X.; Elmali, A.; Zhao, J.; Ji, S.; Karatay, A.; Voronkova, V. K. J. Phys. Chem. B 2021, 125, 4187. https://doi.org/10.1021/acs.jpcb.1c02071.Suche in Google Scholar PubMed

45. Rehmat, N.; Kurganskii, I. V.; Mahmood, Z.; Guan, Q. L.; Zhao, J.; Xing, Y. H.; Gurzadyan, G. G.; Fedin, M. V. Chem. Eur. J. 2021, 27, 5521. https://doi.org/10.1002/chem.202005285.Suche in Google Scholar PubMed

46. Likhtenstein, G. I.; Ishii, K.; Nakatsuji, S. I. Photochem. Photobiol. 2007, 83, 871. https://doi.org/10.1111/j.1751-1097.2007.00141.x.Suche in Google Scholar PubMed

47. Zhang, X.; Chen, X.; Sun, Y.; Zhao, J. Org. Biomol. Chem. 2024, 22, 5257. https://doi.org/10.1039/D4OB00520A.Suche in Google Scholar PubMed

48. Kandrashkin, Y.; van der Est, A. Chem. Phys. Lett. 2003, 379, 574. https://doi.org/10.1016/j.cplett.2003.08.073.Suche in Google Scholar

49. Avalos, C. E.; Richert, S.; Socie, E.; Karthikeyan, G.; Casano, G.; Stevanato, G.; Kubicki, D. J.; Moser, J. E.; Timmel, C. R.; Lelli, M.; Rossini, A. J.; Ouari, O.; Emsley, L. J. Phys. Chem. A 2020, 124, 6068. https://doi.org/10.1021/acs.jpca.0c03498.Suche in Google Scholar PubMed

50. Teki, Y.; Tamekuni, H.; Takeuchi, J.; Miura, Y. Angew. Chem., Int. Ed. 2006, 45, 4666. https://doi.org/10.1002/anie.200600898.Suche in Google Scholar PubMed

51. Kawai, A.; Shibuya, K. J. Photochem. Photobiol. C 2006, 7, 89. https://doi.org/10.1016/j.jphotochemrev.2006.06.001.Suche in Google Scholar

52. Franz, M.; Neese, F.; Richert, S. Chem. Sci. 2022, 13, 12358. https://doi.org/10.1039/D2SC04701B.Suche in Google Scholar

53. Yang, W.; Zhao, J.; Sonn, C.; Escudero, D.; Karatay, A.; Yaglioglu, H. G.; Küçüköz, B.; Hayvali, M.; Li, C.; Jacquemin, D. J. Phys. Chem. C 2016, 120, 10162. https://doi.org/10.1021/acs.jpcc.6b01584.Suche in Google Scholar

54. Mayländer, M.; Chen, S.; Lorenzo, E. R.; Wasielewski, M. R.; Richert, S. J. Am. Chem. Soc. 2021, 143, 7050. https://doi.org/10.1021/jacs.1c01620.Suche in Google Scholar PubMed

55. Snellenburg, J.; Laptenok, S.; Seger, R.; Mullen, K.; Stokkum, I. H. M. v.; Snellenburg, J.; Laptenok, S.; Seger, R.; Mullen, K. M.; Van Stokkum, I. H. M. J. Stat. Soft. 2012, 49, 1. https://doi.org/10.18637/jss.v049.i03.Suche in Google Scholar

56. Stoll, S.; Schweiger, A. J. Magn. Reson. 2006, 178, 42. https://doi.org/10.1016/j.jmr.2005.08.013.Suche in Google Scholar PubMed

57. Yanai, T.; Tew, D. P.; Handy, N. C. Chem. Phys. Lett. 2004, 393, 51. https://doi.org/10.1016/j.cplett.2004.06.011.Suche in Google Scholar

58. Weigend, F.; Ahlrichs, R. Phys. Chem. Chem. Phys. 2005, 7, 3297. https://doi.org/10.1039/B508541A.Suche in Google Scholar PubMed

59. Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Scuseria, G. E.; Robb, M. A.; Cheeseman, J. R.; Scalmani, G.; Barone, V.; Petersson, G. A.; Nakatsuji, H.; Li, X.; Caricato, M.; Marenich, A. V.; Bloino, J.; Janesko, B. G.; Gomperts, R.; Mennucci, B.; Hratchian, H. P.; Ortiz, J. V.; Izmaylov, A. F.; Sonnenberg, J. L.; Williams-Young, D.; Ding, F.; Lipparini, F.; Egidi, F.; Goings, J.; Peng, B.; Petrone, A.; Henderson, T.; Ranasinghe, D.; Zakrzewski, V. G.; Gao, J.; Rega, N.; Zheng, G.; Liang, W.; Hada, M.; Ehara, M.; Toyota, K.; Fukuda, R.; Hasegawa, J.; Ishida, M.; Nakajima, T.; Honda, Y.; Kitao, O.; Nakai, H.; Vreven, T.; Throssell, K.; Montgomery, J. A.Jr.; Peralta, J. E.; Ogliaro, F.; Bearpark, M. J.; Heyd, J. J.; Brothers, E. N.; Kudin, K. N.; Staroverov, V. N.; Keith, T. A.; Kobayashi, R.; Normand, J.; Raghavachari, K.; Rendell, A. P.; Burant, J. C.; Iyengar, S. S.; Tomasi, J.; Cossi, M.; Millam, J. M.; Klene, M.; Adamo, C.; Cammi, R.; Ochterski, J. W.; Martin, R. L.; Morokuma, K.; Farkas, O.; Foresman, J. B.; Fox, D. J. Gaussian 16, Revision C.02; Gaussian, Inc.: Wallingford CT, 2019.Suche in Google Scholar

60. Neese, F. Wiley Interdiscip. Rev. Comput. Mol. Sci. 2022, 12, e1606. https://doi.org/10.1002/wcms.1606.Suche in Google Scholar

61. Mayländer, M.; Quintes, T.; Franz, M.; Allonas, X.; Vargas Jentzsch, A.; Richert, S. Chem. Sci. 2023, 14, 5361. https://doi.org/10.1039/D3SC00589E.Suche in Google Scholar PubMed PubMed Central

62. Ishii, K.; Hirose, Y.; Kobayashi, N. J. Phys. Chem. A 1999, 103, 1986. https://doi.org/10.1021/jp983624o.Suche in Google Scholar

63. Castellano, F. N.; Pomestchenko, I. E.; Shikhova, E.; Hua, F.; Muro, M. L.; Rajapakse, N. Coord. Chem. Rev. 2006, 250, 1819. https://doi.org/10.1016/j.ccr.2006.03.007.Suche in Google Scholar

64. Adarsh, N.; Avirah, R. R.; Ramaiah, D. Org. Lett. 2010, 12, 5720. https://doi.org/10.1021/ol102562k.Suche in Google Scholar PubMed

65. Sabatini, R. P.; McCormick, T. M.; Lazarides, T.; Wilson, K. C.; Eisenberg, R.; McCamant, D. W. J. Phys. Chem. Lett. 2011, 2, 223. https://doi.org/10.1021/jz101697y.Suche in Google Scholar

66. You, Y.; Nam, W. Chem. Soc. Rev. 2012, 41, 7061. https://doi.org/10.1039/C2CS35171D.Suche in Google Scholar PubMed

67. Xu, Z.; Huang, Y.; Cao, Y.; Jin, T.; Miller, K. A.; Kaledin, A. L.; Musaev, D. G.; Lian, T.; Egap, E. J. Chem. Phys. 2020, 153, 154201. https://doi.org/10.1063/5.0025972.Suche in Google Scholar PubMed

68. Baruah, M.; Qin, W.; Flors, C.; Hofkens, J.; Vallée, R. A. L.; Beljonne, D.; Van der Auweraer, M.; De Borggraeve, W. M.; Boens, N. J. Phys. Chem. A 2006, 110, 5998. https://doi.org/10.1021/jp054878u.Suche in Google Scholar PubMed

69. Tripathi, A. K.; Kundu, S.; Das, R. Phys. Chem. Chem. Phys. 2019, 21, 77. https://doi.org/10.1039/C8CP06722H.Suche in Google Scholar PubMed

70. Zhang, X.; Elmali, A.; Duan, R.; Liu, Q.; Ji, W.; Zhao, J.; Li, C.; Karatay, A. Phys. Chem. Chem. Phys. 2020, 22, 6376. https://doi.org/10.1039/C9CP06914C.Suche in Google Scholar

71. Mayländer, M.; Nolden, O.; Franz, M.; Chen, S.; Bancroft, L.; Qiu, Y.; Wasielewski, M. R.; Gilch, P.; Richert, S. Chem. Sci. 2022, 13, 6732. https://doi.org/10.1039/D2SC01899C.Suche in Google Scholar PubMed PubMed Central

72. Chernick, E. T.; Casillas, R.; Zirzlmeier, J.; Gardner, D. M.; Gruber, M.; Kropp, H.; Meyer, K.; Wasielewski, M. R.; Guldi, D. M.; Tykwinski, R. R. J. Am. Chem. Soc. 2015, 137, 857. https://doi.org/10.1021/ja510958k.Suche in Google Scholar PubMed

73. Rane, V.; Das, R. J. Phys. Chem. A 2015, 119, 5515. https://doi.org/10.1021/acs.jpca.5b01989.Suche in Google Scholar PubMed

74. Dyar, S. M.; Margulies, E. A.; Horwitz, N. E.; Brown, K. E.; Krzyaniak, M. D.; Wasielewski, M. R. J. Phys. Chem. B 2015, 119, 13560. https://doi.org/10.1021/acs.jpcb.5b02378.Suche in Google Scholar PubMed

75. Colvin, M. T.; Giacobbe, E. M.; Cohen, B.; Miura, T.; Scott, A. M.; Wasielewski, M. R. J. Phys. Chem. A 2010, 114, 1741. https://doi.org/10.1021/jp909212c.Suche in Google Scholar PubMed

76. Giacobbe, E. M.; Mi, Q.; Colvin, M. T.; Cohen, B.; Ramanan, C.; Scott, A. M.; Yeganeh, S.; Marks, T. J.; Ratner, M. A.; Wasielewski, M. R. J. Am. Chem. Soc. 2009, 131, 3700. https://doi.org/10.1021/ja808924f.Suche in Google Scholar PubMed

77. Zhao, Y.; Li, X.; Wang, Z.; Yang, W.; Chen, K.; Zhao, J.; Gurzadyan, G. G. J. Phys. Chem. C 2018, 122, 3756. https://doi.org/10.1021/acs.jpcc.7b11872.Suche in Google Scholar

78. Mahmood, Z.; Sukhanov, A. A.; Rehmat, N.; Hu, M.; Elmali, A.; Xiao, Y.; Zhao, J.; Karatay, A.; Dick, B.; Voronkova, V. K. J. Phys. Chem. B 2021, 125, 9317. https://doi.org/10.1021/acs.jpcb.1c05032.Suche in Google Scholar PubMed

79. Mambetov, A.; Sukhanov, A.; Zhang, X.; Zhao, J.; Voronkova, V. K. Appl. Magn. Reson. 2024, 55, 1553. https://doi.org/10.1007/s00723-024-01654-y.Suche in Google Scholar

80. Sukhanov, A. A.; Konov, K. B.; Salikhov, K. M.; Voronkova, V. K.; Mikhalitsyna, E. A.; Tyurin, V. S. Appl. Magn. Reson. 2015, 46, 1199. https://doi.org/10.1007/s00723-015-0705-0.Suche in Google Scholar

81. Rozenshtein, V.; Berg, A.; Stavitski, E.; Levanon, H.; Franco, L.; Corvaja, C. J. Phys. Chem. A 2005, 109, 11144. https://doi.org/10.1021/jp0540104.Suche in Google Scholar PubMed

82. Ishii, K.; Ishizaki, T.; Kobayashi, N. Appl. Magn. Reson. 2003, 23, 369. https://doi.org/10.1007/BF03166627.Suche in Google Scholar

83. Hu, C.; Vo, C.; Merchant, R. R.; Chen, S.; Hughes, J. M. E.; Peters, B. K.; Qin, T. J. Am. Chem. Soc. 2023, 145, 14064. https://doi.org/10.1021/jacs.2c11664.Suche in Google Scholar PubMed PubMed Central

84. Mizuochi, N.; Ohba, Y.; Yamauchi, S. J. Phys. Chem. A 1997, 101, 5966. https://doi.org/10.1021/jp971569y.Suche in Google Scholar

85. Chen, X.; Rehmat, N.; Kurganskii, I. V.; Maity, P.; Elmali, A.; Zhao, J.; Karatay, A.; Mohammed, O. F.; Fedin, M. V. Chem. Eur. J. 2023, 29, e202302137. https://doi.org/10.1002/chem.202302137.Suche in Google Scholar PubMed

86. Quintes, T.; Mayländer, M.; Richert, S. Nat. Rev. Chem. 2023, 7, 75. https://doi.org/10.1038/s41570-022-00453-y.Suche in Google Scholar PubMed

87. Dirac, P. A. M.; Fowler, R. H. Proc. R. Soc. Lond. A. 1926, 112, 661. https://doi.org/10.1098/rspa.1926.0133.Suche in Google Scholar

Supplementary Material

This article contains supplementary material (https://doi.org/10.1515/pac-2025-0487).

Received: 2025-04-21
Accepted: 2025-06-03
Published Online: 2025-07-09
Published in Print: 2026-01-23

© 2025 IUPAC & De Gruyter

Artikel in diesem Heft

  1. Frontmatter
  2. IUPAC Technical Report
  3. A brief guide to polymer terminology (IUPAC Technical Report)
  4. Special Issue: International Conference on Physical Organic Chemistry; Guest Editors: Lei Jiao and Sanzhong Luo
  5. Review Articles
  6. Non-ruthenium catalysts based self-oscillating gels driven by the Belousov-Zhabotinsky reaction
  7. Topological innovation in molecular design: advances in Möbius architectures for functional materials
  8. Research Articles
  9. Fluorescent discrimination for snake venom via a dual-mode supramolecular sensor array
  10. Machine learning predictions for regioselectivity of hydroformylation reactions: leveraging limited data for high-precision results
  11. Virtual transition states
  12. Water-soluble flexible organic frameworks: synthesis, characterizations and functions
  13. Stepwise or concerted? One-bond-nucleophilicity and -electrophilicity parameters for the mechanistic analysis of 1,3-dipolar cycloadditions
  14. Radical-enhanced intersystem crossing, spin dipolar interaction and electron exchange in perylenebisimide-TEMPO dyads
  15. Monte Carlo modeling of heteropolysaccharides using MD-informed disaccharide data: application to keratan sulfate
https://doi.org/10.1515/pac-2025-0487
Schlagwörter für diesen Artikel
distances and orientations; electron exchange interactions; electron spin–spin dipolar interaction; exchange regime; ICPOC-26; radical-enhanced intersystem crossing

Artikel in diesem Heft

  1. Frontmatter
  2. IUPAC Technical Report
  3. A brief guide to polymer terminology (IUPAC Technical Report)
  4. Special Issue: International Conference on Physical Organic Chemistry; Guest Editors: Lei Jiao and Sanzhong Luo
  5. Review Articles
  6. Non-ruthenium catalysts based self-oscillating gels driven by the Belousov-Zhabotinsky reaction
  7. Topological innovation in molecular design: advances in Möbius architectures for functional materials
  8. Research Articles
  9. Fluorescent discrimination for snake venom via a dual-mode supramolecular sensor array
  10. Machine learning predictions for regioselectivity of hydroformylation reactions: leveraging limited data for high-precision results
  11. Virtual transition states
  12. Water-soluble flexible organic frameworks: synthesis, characterizations and functions
  13. Stepwise or concerted? One-bond-nucleophilicity and -electrophilicity parameters for the mechanistic analysis of 1,3-dipolar cycloadditions
  14. Radical-enhanced intersystem crossing, spin dipolar interaction and electron exchange in perylenebisimide-TEMPO dyads
  15. Monte Carlo modeling of heteropolysaccharides using MD-informed disaccharide data: application to keratan sulfate
Heruntergeladen am 22.4.2026 von https://www.degruyterbrill.com/document/doi/10.1515/pac-2025-0487/html
Button zum nach oben scrollen