journal article·2025

Theoretical insights into double-headed superalkalide ion pairs, K δ − [AE + @HMHC]K δ − (AE = Ca and Sr), as stable and high-performance single-pole double-throw mid-far-infrared NLO molecular switches

Jia Li, Xuexia Liu, Yin Lin, Xin-Min Deng, Dong-Xia Zuo, Zhijun Wang, Zhi-Ru Li, Yin-Feng Wang

Journal of Materials Chemistry C· Volume 13· Issue 31
Publisher page

Abstract

K δ − [AE + @HMHC]K δ − may be as single-pole double-throw (SPDT) NLO molecular switch for novel electronic devices.
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Research context

OpenAlex topics: Organic and Molecular Conductors Research · Nonlinear Optical Materials Research · Perovskite Materials and Applications

SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.

Affiliations

Key Laboratory of Jiangxi Province for Special Optoelectronic Artificial Crystal Materials, School of Chemistry and Chemical Engineering, Jinggangshan University, Ji’an, Jiangxi 343009, P. R. China

School of Forensic Medicine, Wannian Medical College, Anhui, Wuhu 241002, P. R. China

Institute of Theoretical Chemistry, Jilin University, Changchun 130023, P. R. China

Funding

National Natural Science Foundation of China

References (52)

Show source-provided references
1. Dye · J. Am. Chem. Soc. · 1974 · 96 · 60810.1021/ja00809a060 ↗
2. Dale · Phys. Chem. Chem. Phys. · 2018 · 20 · 2671010.1039/C8CP04014A ↗
3. Biswal · J. Am. Chem. Soc. · 2017 · 139 · 420210.1021/jacs.7b00932 ↗
4. Ahsan · J. Mol. Liq. · 2020 · 297 · 11189910.1016/j.molliq.2019.111899 ↗
5. Hou · Chem. Phys. Lett. · 2018 · 711 · 5510.1016/j.cplett.2018.09.023 ↗
6. B.Li , D.Peng , F. L.Gu and C.Zhu , RSC Adv. , 2019 , 9 , 16718–16728
7. Li · Phys. Chem. Chem. Phys. · 2020 · 22 · 847610.1039/C9CP06894E ↗
8. Mai · Phys. Chem. Chem. Phys. · 2015 · 17 · 2875410.1039/C5CP03635F ↗
9. Wang · J. Mater. Chem. C · 2021 · 9 · 1488510.1039/D1TC03337A ↗
10. Wang · J. Mater. Chem. C · 2022 · 10 · 1678910.1039/D2TC03375E ↗
11. Riedel · J. Am. Chem. Soc. · 2021 · 143 · 393410.1021/jacs.1c00115 ↗
12. Huang · Phys. Chem. Chem. Phys. · 2024 · 26 · 470210.1039/D3CP04627C ↗
13. Wang · J. Mol. Liq. · 2022 · 349 · 11810110.1016/j.molliq.2021.118101 ↗
14. Castet · Acc. Chem. Res. · 2013 · 46 · 265610.1021/ar4000955 ↗
15. Chen · Chem. Mater. · 2021 · 33 · 372910.1021/acs.chemmater.1c00794 ↗
16. Dubuis · J. Am. Chem. Soc. · 2023 · 145 · 1086110.1021/jacs.3c02778 ↗
17. Li · Chem. Mater. · 2023 · 35 · 659810.1021/acs.chemmater.3c00038 ↗
18. Liu · Nano Lett. · 2023 · 23 · 585110.1021/acs.nanolett.2c04988 ↗
19. Hood · Angew. Chem., Int. Ed. · 2023 · 62 · e20221553710.1002/anie.202215537 ↗
20. Zhang · Inorg. Chem. Front. · 2022 · 9 · 434110.1039/D2QI00964A ↗
21. Zeng · Angew. Chem., Int. Ed. · 2022 · 61 · e20211008210.1002/anie.202110082 ↗
22. Li · Inorg. Chem. Front. · 2022 · 9 · 370210.1039/D2QI01020H ↗
23. Xue · Dalton Trans. · 2018 · 47 · 1310.1039/C7DT03989A ↗
24. J.-T.Ye , L.Wang , H.-Q.Wang , Z.-Z.Chen , Y.-Q.Qiu and H.-M.Xie , RSC Adv. , 2017 , 7 , 642–650
25. Liu · Carbon · 2022 · 187 · 7810.1016/j.carbon.2021.11.005 ↗
26. Zhang · Org. Electron. · 2018 · 57 · 6810.1016/j.orgel.2018.02.030 ↗
27. Srivastava · Int. J. Quantum Chem. · 2017 · 117 · 20810.1002/qua.25313 ↗
28. Zhu · J. Mol. Model. · 2019 · 25 · 15010.1007/s00894-019-4042-3 ↗
29. Liu · Carbon · 2020 · 165 · 46810.1016/j.carbon.2020.04.099 ↗
30. Zheng · Theor. Chem. Acc. · 2011 · 128 · 29510.1007/s00214-010-0846-z ↗
31. Weigend · Phys. Chem. Chem. Phys. · 2005 · 7 · 329710.1039/b508541a ↗
32. Lu · ChemPhysChem · 2021 · 22 · 38610.1002/cphc.202000903 ↗
33. Reed · J. Chem. Phys. · 1985 · 83 · 73510.1063/1.449486 ↗
34. Lu · J. Phys. Chem. A · 2023 · 127 · 702310.1021/acs.jpca.3c04374 ↗
35. Lu · J. Comput. Chem. · 2012 · 33 · 58010.1002/jcc.22885 ↗
36. Levine · Appl. Phys. Lett. · 1974 · 24 · 44510.1063/1.1655254 ↗
37. Clays · Phys. Rev. Lett. · 1991 · 66 · 298010.1103/PhysRevLett.66.2980 ↗
38. Rajeshirke · J. Solution Chem. · 2017 · 46 · 210910.1007/s10953-017-0691-y ↗
39. Zaleśny · Phys. Chem. Chem. Phys. · 2016 · 18 · 2246710.1039/C6CP02500E ↗
40. Bishop · J. Chem. Phys. · 1995 · 103 · 415710.1063/1.469600 ↗
41. M. J.Frisch , G. W.Trucks , H. B.Schlegel , G. E.Scuseria , M. A.Robb , J. R.Cheeseman , G.Scalmani , V.Barone , G. A.Petersson , H.Nakatsuji , X.Li , M.Caricato , A. V.Marenich , J.Bloino , B. G.Janesko , R.Gomperts , B.Mennucci , H. P.Hratchian , J. V.Ortiz , A. F.Izmaylov , J. L.Sonnenberg , D.Williams-Young , F.Ding , F.Lipparini , F.Egidi , J.Goings , B.Peng , A.Petrone , T.Henderson , D.Ranasinghe , V. G.Zakrzewski , J.Gao , N.Rega , G.Zheng , W.Liang , M.Hada , M.Ehara , K.Toyota , R.Fukuda , J.Hasegawa , M.Ishida , T.Nakajima , Y.Honda , O.Kitao , H.Nakai , T.Vreven , K.Throssell , J. A.Montgomery, Jr. , J. E.Peralta , F.Ogliaro , M. J.Bearpark , J. J.Heyd , E. N.Brothers , K. N.Kudin , V. N.Staroverov , T. A.Keith , R.Kobayashi , J.Normand , K.Raghavachari , A. P.Rendell , J. C.Burant , S. S.Iyengar , J.Tomasi , M.Cossi , J. M.Millam , M.Klene , C.Adamo , R.Cammi , J. W.Ochterski , R. L.Martin , K.Morokuma , O.Farkas , J. B.Foresman and D. J.Fox , Gaussian 16 , Revision A.02 , Gaussian Inc ., Wallingford CT , 2016
42. Sowlati-Hashjin · J. Phys. Chem. A · 2020 · 124 · 472010.1021/acs.jpca.0c02569 ↗
43. Lu · J. Comput. Chem. · 2022 · 43 · 53910.1002/jcc.26812 ↗
44. Casals-Sainz · J. Phys. Chem. A · 2020 · 124 · 33910.1021/acs.jpca.9b10113 ↗
45. Lu · J. Chem. Phys. · 2024 · 161 · 08250310.1063/5.0216272 ↗
46. Humphrey · J. Mol. Graphics · 1996 · 14 · 3310.1016/0263-7855(96)00018-5 ↗
47. Lu · Comput. Theor. Chem. · 2021 · 1200 · 11324910.1016/j.comptc.2021.113249 ↗
48. Alecu · J. Chem. Theory Comput. · 2010 · 6 · 287210.1021/ct100326h ↗
49. Sun · Chem. – Eur. J. · 2019 · 25 · 956810.1002/chem.201901460 ↗
50. Koch · Appl. Opt. · 2016 · 55 · 187110.1364/AO.55.001871 ↗
51. Wang · J. Appl. Phys. · 2001 · 89 · 420910.1063/1.1354636 ↗
52. Yu · Chem. Mater. · 2017 · 29 · 184510.1021/acs.chemmater.7b00167 ↗