Anisotropic Poisson Effect and Deformation-Induced Fluorescence Change of Elastic 9,10-Dibromoanthracene Single Crystals.
DFT simulation
anisotropic Poisson effect
elastic organic crystals
fluorescence
molecular assembly
Journal
Angewandte Chemie (International ed. in English)
ISSN: 1521-3773
Titre abrégé: Angew Chem Int Ed Engl
Pays: Germany
ID NLM: 0370543
Informations de publication
Date de publication:
07 Sep 2020
07 Sep 2020
Historique:
received:
04
05
2020
revised:
29
05
2020
pubmed:
4
6
2020
medline:
4
6
2020
entrez:
4
6
2020
Statut:
ppublish
Résumé
Elastic organic crystals have attracted considerable attention as next-generation flexible smart materials. However, the detailed information on both molecular packing change and macroscopic mechanical crystal deformations upon applied stress is still insufficient. Herein, we report that fluorescent single crystals of 9,10-dibromoanthracene are elastically bendable and stretchable, which allows a detailed investigation of the deformation behavior. We clearly observed a Poisson effect for the crystal, where the short axes (b and c-axes) of the crystal are contracted upon elongation along the long axis (a-axis). Moreover, we found that the Poisson's ratios along the b-axis and c-axis are largely different. Theoretical molecular simulation suggests that the tilting motion of the anthracene may be responsible for the large deformation along the c-axis. Spatially resolved photoluminescence (PL) measurement of the bent elastic crystals reveals that the PL spectra at the outer (elongated), central (neutral), and inner (contracted) sides are different from each other.
Identifiants
pubmed: 32488985
doi: 10.1002/anie.202006474
doi:
Types de publication
Journal Article
Langues
eng
Sous-ensembles de citation
IM
Pagination
16195-16201Informations de copyright
© 2020 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.
Références
V. Podzorov, MRS Bull. 2013, 38, 15-24.
V. C. Sundar, J. Zaumseil, V. Podzorov, E. Menard, R. L. Willett, T. Someya, M. E. Gershenson, J. A. Rogers, Science 2004, 303, 1644-1646.
S. Liu, W. M. Wang, A. L. Briseno, S. C. B. Mannsfeld, Z. Bao, Adv. Mater. 2009, 21, 1217-1232.
K. Maruyama, K. Sawabe, T. Sakanoue, J. Li, W. Takahashi, S. Hotta, Y. Iwasa, T. Takenobu, Sci. Rep. 2015, 5, 10221.
M. C. Etter, A. R. Siedle, J. Am. Chem. Soc. 1983, 105, 641-643.
P. Naumov, S. C. Sahoo, B. A. Zakharov, E. V. Boldyreva, Angew. Chem. Int. Ed. 2013, 52, 9990-9995.
A. Khalil, E. Ahmed, P. Naumov, Chem. Commun. 2017, 53, 8470-8473.
S. Kobatake, S. Takami, H. Muto, T. Ishikawa, M. Irie, Nature 2007, 446, 778-781.
M. T. Dove, Structure and dynamics: an atomic view of materials, Oxford Univ. Press, Oxford, 2003.
C. M. Reddy, G. Rama Krishna, S. Ghosh, CrystEngComm 2010, 12, 2296-2314.
C. M. Reddy, K. A. Padmanabhan, G. R. Desiraju, Cryst. Growth Des. 2006, 6, 2720-2731.
E. Ahmed, D. P. Karothu, P. Naumov, Angew. Chem. Int. Ed. 2018, 57, 8837-8846.
P. Commins, D. P. Karothu, P. Naumov, Angew. Chem. Int. Ed. 2019, 58, 10052-10060.
S. Ghosh, C. M. Reddy, Angew. Chem. Int. Ed. 2012, 51, 10319-10323.
S. Ghosh, M. K. Mishra, S. Ganguly, G. R. Desiraju, J. Am. Chem. Soc. 2015, 137, 9912-9921.
S. Ghosh, M. K. Mishra, S. B. Kadambi, U. Ramamurty, G. R. Desiraju, Angew. Chem. Int. Ed. 2015, 54, 2674-2678.
S. Hayashi, T. Koizumi, N. Kamiya, Cryst. Growth Des. 2017, 17, 6158-6162.
E. M. Horstman, R. K. Keswani, B. A. Frey, P. M. Rzeczycki, V. LaLone, J. A. Bertke, P. J. A. Kenis, G. R. Rosania, Angew. Chem. Int. Ed. 2017, 56, 1815-1819.
A. Worthy, A. Grosjean, M. C. Pfrunder, Y. Xu, C. Yan, G. Edwards, J. K. Clegg, J. C. McMurtrie, Nat. Chem. 2018, 10, 65-69.
S. Hayashi, T. Koizumi, Angew. Chem. Int. Ed. 2016, 55, 2701-2704.
H. Liu, Z. Lu, Z. Zhang, Y. Wang, H. Zhang, Angew. Chem. Int. Ed. 2018, 57, 8448-8452.
S. Hayashi, A. Asano, N. Kamiya, Y. Yokomori, T. Maeda, T. Koizumi, Sci. Rep. 2017, 7, 9453.
S. Hayashi, T. Koizumi, Chem. Eur. J. 2018, 24, 8507-8512.
S. Hayashi, S. Yamamoto, D. Takeuchi, Y. Ie, K. Takagi, Angew. Chem. Int. Ed. 2018, 57, 17002-17008.
M. K. Panda, S. Ghosh, N. Yasuda, T. Moriwaki, G. D. Mukherjee, C. M. Reddy, P. Naumov, Nat. Chem. 2015, 7, 65-72.
L. Catalano, D. P. Karothu, S. Schramm, E. Ahmed, R. Rezqui, T. J. Barber, A. Famulari, P. Naumov, Angew. Chem. Int. Ed. 2018, 57, 17254-17258.
R. Devarapalli, S. B. Kadambi, C.-T. Chen, G. R. Krishna, B. R. Kammari, M. J. Buehler, U. Ramamurty, C. M. Reddy, Chem. Mater. 2019, 31, 1391-1402.
S. Saha, M. K. Mishra, C. M. Reddy, G. R. Desiraju, Acc. Chem. Res. 2018, 51, 2957-2967.
J. M. Robertson, Proc. Phys. Soc. 1933, 140, 79-98.
T. Hinoue, Y. Shigenoi, M. Sugino, Y. Mizobe, I. Hisaki, M. Miyata, N. Tohnai, Chem. Eur. J. 2012, 18, 4634-4643.
H. Zhang, Z. Zhang, K. Ye, J. Zhang, Y. Wang, Adv. Mater. 2006, 18, 2369-2372.
J. Xiao, Z. Yin, B. Yang, Y. Liu, L. Ji, J. Guo, L. Hung, X. Liu, Q. Yan, H. Zhang, Q. Zhang, Nanoscale 2011, 3, 4720-4723.
J. Trotter, Acta Crystallogr. Sect. C 1986, 42, 862-864.
P. Giannozzi, et al., J. Phys. Condens. Matter 2009, 21, 395502.
K. Lee, É. D. Murray, L. Kong, B. I. Lundqvist, D. C. Langreth, Phys. Rev. B 2010, 82, 081101.
N. Troullier, J. L. Martins, Phys. Rev. B 1991, 43, 1993-2006.
M. J. Frisch, et al. Gaussian 16, Revision A.03 (Gaussian Inc., Wallingford CT, 2016).
T. Yanai, D. P. Tew, N. C. Handy, Chem. Phys. Lett. 2004, 393, 51-57.
M. M. Francl, W. J. Pietro, W. J. Hehre, J. Chem. Phys. 1982, 77, 3654-3665.
K. Momma, F. Izumi, J. Appl. Crystallogr. 2011, 44, 1272-1276.