Removing the Destructive Quantum Interference in Cross Conjugation System by Structural Restraint

doi:10.1007/s40242-022-2136-4

高等学校化学研究 ›› 2023, Vol. 39 ›› Issue (2): 224-227.doi: 10.1007/s40242-022-2136-4

Removing the Destructive Quantum Interference in Cross Conjugation System by Structural Restraint

QU Kai^2,4,6, PAN Zi-You^1,2, WANG Jin-Yun², ZHANG Bochao³, ZENG Hao², SANG Yu-Feng^2,4, ZHANG Qian-Chong^2,5, CHEN Zhong-Ning^2,5

1. College of Chemistry, Fuzhou University, Fuzhou 350108, P. R. China;
2. State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fuzhou 350002, P. R. China;
3. Department of Pharmacy, Xiamen Medical College, Xiamen 361005, P. R. China;
4. School of Physical Science and Technology, ShanghaiTech University, Shanghai 201210, P. R. China;
5. Fujian Science&Technology Innovation Laboratory for Optoelectronic Information of China, Fuzhou 350108, P. R. China;
6. University of Chinese Academy of Sciences, Beijing 100049, P. R. China

收稿日期:2022-04-11 出版日期:2023-04-01 发布日期:2023-03-16
通讯作者: ZHANG Qian-Chong E-mail:zhangqianchong@fjirsm.ac.cn
基金资助:
This work was supported by the National Natural Science Foundation of China (No.92061117), the Strategic Priority Research Program of the Chinese Academy of Sciences(No.XDB20000000), the Project of the Fujian Science & Technology Innovation Laboratory for Optoelectronic Information of China(No.2021ZR129) and the Natural Science Foundation of Fujian Province, China(No.2020J01110).

Removing the Destructive Quantum Interference in Cross Conjugation System by Structural Restraint

QU Kai^2,4,6, PAN Zi-You^1,2, WANG Jin-Yun², ZHANG Bochao³, ZENG Hao², SANG Yu-Feng^2,4, ZHANG Qian-Chong^2,5, CHEN Zhong-Ning^2,5

1. College of Chemistry, Fuzhou University, Fuzhou 350108, P. R. China;
2. State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fuzhou 350002, P. R. China;
3. Department of Pharmacy, Xiamen Medical College, Xiamen 361005, P. R. China;
4. School of Physical Science and Technology, ShanghaiTech University, Shanghai 201210, P. R. China;
5. Fujian Science&Technology Innovation Laboratory for Optoelectronic Information of China, Fuzhou 350108, P. R. China;
6. University of Chinese Academy of Sciences, Beijing 100049, P. R. China

Received:2022-04-11 Online:2023-04-01 Published:2023-03-16
Contact: ZHANG Qian-Chong E-mail:zhangqianchong@fjirsm.ac.cn
Supported by:
This work was supported by the National Natural Science Foundation of China (No.92061117), the Strategic Priority Research Program of the Chinese Academy of Sciences(No.XDB20000000), the Project of the Fujian Science & Technology Innovation Laboratory for Optoelectronic Information of China(No.2021ZR129) and the Natural Science Foundation of Fujian Province, China(No.2020J01110).

摘要/Abstract

摘要： Understanding the quantum effect in the cross-conjugated system is of fundamental significance in molecular electronics. In this study, four molecules Xa-O, Xa, BP and BP-O were synthesized to investigate the destructive quantum interference(DQI) of a carbonyl bridge. The single-molecule conductance measured by the scanning tunneling microscope break junction(STM-BJ) technique demonstrates an increase in the conductance from molecule BP-O to molecule Xa-O as the cross-conjugated system is extended. Theoretical calculations show that the explicit DQI feature is presented in BP-O but absent in Xa-O, which indicates the removal of DQI in the restrained structures and results in the conductance enhancement in Xa-O.

关键词: Single-molecule conductance, Cross conjugation, Quantum interference, Carbonyl, Conductance enhancement

Abstract: Understanding the quantum effect in the cross-conjugated system is of fundamental significance in molecular electronics. In this study, four molecules Xa-O, Xa, BP and BP-O were synthesized to investigate the destructive quantum interference(DQI) of a carbonyl bridge. The single-molecule conductance measured by the scanning tunneling microscope break junction(STM-BJ) technique demonstrates an increase in the conductance from molecule BP-O to molecule Xa-O as the cross-conjugated system is extended. Theoretical calculations show that the explicit DQI feature is presented in BP-O but absent in Xa-O, which indicates the removal of DQI in the restrained structures and results in the conductance enhancement in Xa-O.

Key words: Single-molecule conductance, Cross conjugation, Quantum interference, Carbonyl, Conductance enhancement

QU Kai, PAN Zi-You, WANG Jin-Yun, ZHANG Bochao, ZENG Hao, SANG Yu-Feng, ZHANG Qian-Chong, CHEN Zhong-Ning. Removing the Destructive Quantum Interference in Cross Conjugation System by Structural Restraint[J]. 高等学校化学研究, 2023, 39(2): 224-227.

参考文献

[1] Camarasa-Gomez M., Hernangomez-Perez D., Inkpen M. S., Lovat G., Fung E. D., Roy X., Venkataraman L., Evers F., Nano Letters, 2020, 20, 6381
[2] Reznikova K., Hsu C., Schosser W. M., Gallego A., Beltako K., Pauly F., van der Zant H. S. J., Mayor M., Journal of the American Chemical Society, 2021, 143, 13944
[3] Tang C., Huang L., Sangtarash S., Noori M., Sadeghi H., Xia H., Hong W., Journal of the American Chemical Society, 2021, 143, 9385
[4] Mayor M., Weber H. B., Reichert J., Elbing M., von Hanisch C., Beckmann D., Fischer M., Angewandte Chemie-International Edition, 2003, 42, 5834
[5] Walczak K., Central European Journal of Chemistry, 2004, 2, 524
[6] Maiti S. K., Physics Letters A, 2007, 366, 114
[7] Walter D., Neuhauser D., Baer R., Chemical Physics, 2004, 299, 139
[8] Qu K., Duan P., Wang J. Y., Zhang B., Zhang Q. C., Hong W., Chen Z. N., Nano letters, 2021, 21, 9729
[9] Guédon C. M., Valkenier H., Markussen T., Thygesen K. S., Hummelen J. C., van der Molen S. J., Nature Nanotechnology, 2012, 7, 304
[10] Markussen T., Schiötz J., Thygesen K. S., Journal of Chemical Physics, 2010, 132, 224104
[11] Li X., Tan Z., Huang X., Bai J., Liu J., Hong W., Journal of Materials Chemistry C, 2019, 7, 12790
[12] Göransson E., Emanuelsson R., Jorner K., Markle T. F., Hammarström L., Ottosson H., Chemical Science, 2013, 4, 3522
[13] Markussen T., Stadler R., Thygesen K. S., Phys. Chem. Chem. Phys., 2011, 13, 14311
[14] Medina-Rivero S., Garica-Arroyo P., Li L., Gunasekaran S., Stuyver T., Mancheũo M. J., Alonso M., Venkataraman L., Segura J. L., Casado J., Chemical Communication, 2021, 57, 591
[15] Pedersen K. G. L., Borges A., Hedegård P., Solomon G. C., Strange M., Journal of Physical Chemistry C, 2015, 119, 26919
[16] Ricks A. B., Solomon G. C., Colvin M. T., Scott A. M., Chen K., Ratner M. A., Wasielewski M. R., Journal of the American Chemical Society, 2010, 132, 15427
[17] Solomon G. C., Andrews D. Q., Goldsmith R. H., Hansen T., Wasielewski M. R., van Duyne R. P., Ratner M. A., Journal of the American Chemical Society, 2008, 130, 17301
[18] Solomon G. C., Andrews D. Q., van Duyne R. P., Ratner M. A., Journal of the American Chemical Society, 2008, 130, 7788
[19] Andrews D. Q., Solomon G. C., van Duyne R. P., Ratner M. A., Journal of the American Chemical Society, 2008, 130, 17309
[20] Lykkebo J., Gagliardi A., Pecchia A., Solomon G. C., Journal of Chemical Physics, 2014, 141, 4119
[21] Zhang Y. X., Ye G., Soni S., Qiu X. K., Krijger T. L., Jonkman H. T., Carlotti M., Sauter E., Zharnikov M., Chiechi R. C., Chemical Science, 2018, 9, 4414
[22] Valkenier H., Guedon C. M., Markussen T., Thygesen K. S., van der Molen S. J., Hummelen J. C., Physical Chemistry Chemical Physics, 2014, 16, 653
[23] Carlotti M., Soni S., Qiu X. K., Sauter E., Zharnikov M., Chiechi R. C., Nanoscale Advances, 2019, 1, 2018
[24] Papadopoulos T. A., Grace I. M., Lambert C. J., Physical Review B, 2006, 74, 3306
[25] Guan J. X., Jia C. C., Li Y. W., Liu Z. T., Wang J. Y., Yang Z. Y., Gu C. H., Su D. K., Houk K. N., Zhang D. Q., Guo X. F., Science Advances, 2018, 4, eaar2177
[26] Yzambart G., Rincón-GarcÍa L., Al-Jobory A. A., Ismael A. K., Rubio-Bollinger G., Lambert C. J., Agraït N., Bryce M. R., Journal of Physical Chemistry C, 2018, 122, 27198
[27] Ferri N., Algethami N., Vezzoli A., Sangtarash S., McLaughlin M., Sadeghi H., Lambert C. J., Nichols R. J., Higgins S. J., Angewandte Chemie-International Edition, 2019, 58, 16583
[28] Soni S., Ye G., Zheng J. T., Zhang Y. X., Asyuda A., Zharnikov M., Hong W. J., Chiechi R. C., Angewandte Chemie-International Edition, 2020, 59, 14308
[29] Alanazy A., Leary E., Kobatake T., Sangtarash S., González M. T., Jiang H. W., Bollinger G. R., Agräit N., Sadeghi H., Grace I., Higgins S. J., Anderson H. L., Nichols R. J., Lambert C. J., Nanoscale, 2019, 11, 13720
[30] Duan P., Qu K., Wang J. Y., Zeng B., Tang C., Su H. F., Zhang Q. C., Hong W., Chen Z. N., Cell Reports Physical Science, 2021, 2, 100342
[31] Untiedt C., Yanson A. I., Grande R., Rubio-Bollinger G., Agraït N., Vieira S., van Ruitenbeek J. M., Physical Review B, 2002, 66, 5418
[32] Moreno-Garcia P., Gulcur M., Manrique D. Z., Pope T., Hong W., Kaliginedi V., Huang C., Batsanov A. S., Bryce M. R., Lambert C., Wandlowski T., Journal of the American Chemical Society, 2013, 135, 12228
[33] Liu J., Zhao X., Zheng J., Huang X., Tang Y., Wang F., Li R., Pi J., Huang C., Wang L., Yang Y., Shi J., Mao B. W., Tian Z. Q., Bryce M. R., Hong W., Chem, 2019, 5, 390
[34] Wang L., Zhao Z., Shinde D. B., Lai Z., Wang D., Chemical Communications, 2021, 57, 667
[35] Taylor J., Guo H., Wang J., Physical Review B, 2001, 63, 5407
[36] Stokbro K., Taylor J., Brandbyge M., Guo H., Introducing Molecular Electronics, 2005, 680, 117
[37] Soler J. M., Artacho E., Gale J. D., Garcia A., Junquera J., Ordejón P., Sanchez-Portal D., Journal of Physics-Condensed Matter, 2002, 14, 2745
[38] Garner M. H., Solomon G. C., Strange M., Journal of Physical Chemistry C, 2016, 120, 9097
[39] Carlotti M., Kovalchuk A., Wachter T., Qiu X. K., Zharnikov M., Chiechi R. C., Nature Communications, 2016, 7, 13904

Removing the Destructive Quantum Interference in Cross Conjugation System by Structural Restraint

Removing the Destructive Quantum Interference in Cross Conjugation System by Structural Restraint

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