journal article·2020-06-24

Structural and Electronic Characterization of a Photoresponsive Lanthanum(III) Complex Incorporated into Electrospun Fibers for Phosphate Ester Catalysis

Izadora F. Reis, Flávio B. Miguez, Carlos A. Amaya Vargas, Thiago G. Menzonatto, Igor M. S. Silva, Thiago Verano-Braga, Juliana Fedoce Lopes, Tiago A. S. Brandão, Frederico B. De Sousa

ACS Applied Materials & Interfaces· Volume 12· Issue 25
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Abstract

Herein, we present the light-induced synthesis and characterization of a La3+/spiropyran derivative complex (LaMC) and its application as a catalyst when incorporated into electrospun polycaprolactone (PCL) fibers. In addition to experimental methods, computational calculations were also essential to better understand the structure and electronic characteristics of LaMC. The LaMC complex was identified as a 10-coordinated structure with the La3+ ion coordinated by four oxygens from the phenolate and the carbonyl of the carboxyl acid group from both MC ligands and by six oxygens from three nitrate ligands. In addition, LaMC was capable of getting reversibly isomerized by UV or visible light cycling. All PCL fibers were successively obtained, and their morphologies, surface properties, and catalytic behavior were studied. Results showed that PCL/LaMC fibers were capable of catalyzing bis(2,4-dinitrophenyl)phosphate degradation efficiently. Complete hydrolysis was accomplished in only 1.5 days relative to the half-life time of 35 days for the uncatalyzed hydrolysis at pH 8.1 and 25 °C.
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Research context

OpenAlex topics: Photochromic and Fluorescence Chemistry · Luminescence and Fluorescent Materials · Photoreceptor and optogenetics research

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

Affiliations

Laboratório de Sistemas Poliméricos e Supramoleculares (LSPS) −Instituto de Física e Química, Universidade Federal de Itajubá (UNIFEI), Itajubá, 37500-903 Minas Gerais, Brazil

Departamento de Química, ICEx, Universidade Federal de Minas Gerais, Belo Horizonte, 31270-901 Minas Gerais, Brazil

Laboratório de Química Computacional (LaQC)—Instituto de Física e Química, Universidade Federal de Itajubá (UNIFEI), Itajubá, 37500-903 Minas Gerais, Brazil

Departamento de Fisiologia e Biofísica—Instituto de Ciências Biológicas, Universidade Federal de Minas Gerais (UFMG), Belo Horizonte, 31270-901 Minas Gerais, Brazil

Funding

Funda??o de Amparo ? Pesquisa do Estado de Minas Gerais · Pr?-Reitoria de Pesquisa, Universidade Federal de Minas Gerais · Conselho Nacional de Desenvolvimento Cient?fico e Tecnol?gico · Coordena??o de Aperfei?oamento de Pessoal de N?vel Superior

References (60)

Show source-provided references
1. 10.1039/c7ce00710h10.1039/c7ce00710h ↗
2. 10.1021/cr020088u10.1021/cr020088u ↗
3. 10.1039/c3cs60181a10.1039/c3cs60181a ↗
4. 10.1039/b9pp00137a10.1039/b9pp00137a ↗
5. 10.1021/ja106332g10.1021/ja106332g ↗
6. 10.1021/acs.macromol.8b0003610.1021/acs.macromol.8b00036 ↗
7. 10.1039/c7cs00630f10.1039/c7cs00630f ↗
8. 10.1021/ja062437y10.1021/ja062437y ↗
9. 10.1021/ma500115710.1021/ma5001157 ↗
10. 10.1039/c6ra23673a10.1039/c6ra23673a ↗
11. 10.3390/molecules2423424310.3390/molecules24234243 ↗
12. 10.1039/c9dt02092f10.1039/c9dt02092f ↗
13. 10.1016/j.molstruc.2020.12810510.1016/j.molstruc.2020.128105 ↗
14. 10.1039/c7pp00226b10.1039/c7pp00226b ↗
15. 10.1016/s1872-2067(14)60189-310.1016/s1872-2067(14)60189-3 ↗
16. 10.1016/j.cattod.2007.03.01910.1016/j.cattod.2007.03.019 ↗
17. 10.1016/j.cattod.2013.06.02110.1016/j.cattod.2013.06.021 ↗
18. 10.1016/j.cattod.2017.12.03510.1016/j.cattod.2017.12.035 ↗
19. 10.1016/j.jallcom.2004.12.13810.1016/j.jallcom.2004.12.138 ↗
20. 10.1016/j.micromeso.2018.04.02210.1016/j.micromeso.2018.04.022 ↗
21. 10.1002/anie.20060464610.1002/anie.200604646 ↗
22. 10.1021/ma00105a04210.1021/ma00105a042 ↗
23. 10.1016/j.dyepig.2019.10775710.1016/j.dyepig.2019.107757 ↗
24. 10.1002/oms.121027021710.1002/oms.1210270217 ↗
25. Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Scuseria, G. E.; Robb, M. A.; Cheeseman, J. R.; Scalmani, G.; Barone, V.; Mennucci, B.; Petersson, G. A.; Nakatsuji, H.; Caricato, M.; Li, X.; Hratchian, H. P.; Izmaylov, A. F.; Bloino, J.; Zheng, G.; Sonnenberg, J. L.; Hada, M.; Ehara, M.; Toyota, K.; Fukuda, R.; Hasegawa, J.; Ishida, M.; Nakajima, T.; Honda, Y.; Kitao, O.; Nakai, H.; Vreven, T.; Montgomery, J. A., Jr.; Peralta, J. E.; Ogliaro, F.; Bearpark, M.; Heyd, J. J.; Brothers, E.; Kudin, K. N.; Staroverov, V. N.; Kobayashi, R.; Normand, J.; Raghavachari, K.; Rendell, A.; Burant, J. C.; Iyengar, S. S.; Tomasi, J.; Cossi, M.; Rega, N.; Millam, J. M.; Klene, M.; Knox, J. E.; Cross, J. B.; Bakken, V.; Adamo, C.; Jaramillo, J.; Gomperts, R.; Stratmann, R. E.; Yazyev, O.; Austin, A. J.; Cammi, R.; Pomelli, C.; Ochterski, J. W.; Martin, R. L.; Morokuma, K.; Zakrzewski, V. G.; Voth, G. A.; Salvador, P.; Dannenberg, J. J.; Dapprich, S.; Daniels, A. D.; Farkas, Ö.; Foresman, J. B.; Vincent Ortiz, J.; Cioslowski, J.; Fox, D. J. Gaussian 2009; Gaussian, Inc.: Wallingford CT, 2009.
26. 10.1016/j.cplett.2004.06.01110.1016/j.cplett.2004.06.011 ↗
27. 10.1063/1.167752710.1063/1.1677527 ↗
28. 10.1016/j.cplett.2015.11.01310.1016/j.cplett.2015.11.013 ↗
29. 10.1016/j.cplett.2004.03.01610.1016/j.cplett.2004.03.016 ↗
30. 10.1021/jp048886710.1021/jp0488867 ↗
31. 10.1016/j.cplett.2012.10.01410.1016/j.cplett.2012.10.014 ↗
32. 10.1016/0009-2614(72)80259-810.1016/0009-2614(72)80259-8 ↗
33. 10.1016/0301-0104(96)00184-x10.1016/0301-0104(96)00184-x ↗
34. 10.1002/qua.56056071210.1002/qua.560560712 ↗
35. Hehre W. J. · 1986
36. 10.1039/c3cp55336a10.1039/c3cp55336a ↗
37. 10.1016/j.cplett.2013.09.01310.1016/j.cplett.2013.09.013 ↗
38. 10.1002/cphc.20110020010.1002/cphc.201100200 ↗
39. 10.1063/1.488125910.1063/1.4881259 ↗
40. 10.1080/00268976.2013.80495810.1080/00268976.2013.804958 ↗
41. 10.1063/1.47465910.1063/1.474659 ↗
42. 10.1103/physrevlett.52.99710.1103/physrevlett.52.997 ↗
43. 10.1063/1.44948610.1063/1.449486 ↗
44. 10.1039/c0jm01903h10.1039/c0jm01903h ↗
45. 10.1021/acs.inorgchem.9b0254710.1021/acs.inorgchem.9b02547 ↗
46. 10.1021/ct200308m10.1021/ct200308m ↗
47. 10.1039/c9cs00203k10.1039/c9cs00203k ↗
48. 10.1021/ja00708a03110.1021/ja00708a031 ↗
49. 10.1016/j.polymer.2006.08.06610.1016/j.polymer.2006.08.066 ↗
50. 10.1021/jp200461210.1021/jp2004612 ↗
51. 10.1039/c3tc00906h10.1039/c3tc00906h ↗
52. 10.1021/ja042342110.1021/ja0423421 ↗
53. 10.1007/s10853-018-03261-210.1007/s10853-018-03261-2 ↗
54. 10.1016/j.micromeso.2018.04.02210.1016/j.micromeso.2018.04.022 ↗
55. 10.1021/ic402705r10.1021/ic402705r ↗
56. 10.1021/cr050318f10.1021/cr050318f ↗
57. 10.1021/jo01256a00110.1021/jo01256a001 ↗
58. 10.1002/app.1981.07026112410.1002/app.1981.070261124 ↗
59. 10.1039/j2970000116510.1039/j29700001165 ↗
60. 10.1002/poc.86810.1002/poc.868 ↗