Density Functional Theory Analysis of Host–Guest Interactions in Cu(II)-Based Metal–Organic Frameworks for Pesticide Detection
Source abstract
Abstract
A metal organic framework (MOF) (1), having the formula [Cu(4,4′-bipy)(sa)]n (where 4,4′-bipy is 4,4′-bipyridine and sa is succinate dianion), has been synthesized under ambient conditions and characterized by single-crystal X-ray diffraction analysis. The surface of the MOF mimics a 2D honeycomb structure. The uncoordinated oxygen of succinate dianion has been explored for its interaction with toxic pesticides by theoretical density functional theory analysis, and it reveals the selective identification of atrazine- and dicofol-like pesticides. The rational design of Cu2+ MOFs with aliphatic acid is the key factor toward the identification of pesticides, as the same MOF background with Cd2+ does not show any significant interaction.
Source: openalex_inverted_index · Quality: baseline
Research context
OpenAlex topics: Metal-Organic Frameworks: Synthesis and Applications · Molecular Sensors and Ion Detection · Advanced Nanomaterials in Catalysis
SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.
Affiliations
Department of Chemistry, Jadavpur University, Kolkata 700 032, India
Department of Chemistry, Tej Narayan Banaili College, Lower Nathnagar Road, Bhagalpur, 812007 Bihar, India
Universita’ degli Studi di Parma, Dipartimento S.C.V.S.A., Parco Area delle Scienze 17/A, I-43124 Parma, Italy
Schulich Faculty of Chemistry, Technion-Israel Institute of Technology, Technion City, Haifa 3200008, Israel
Funding
Council of Scientific and Industrial Research · Ministry of Human Resource Development · Jadavpur University
References (48)
Show source-provided references
1. 10.1039/c1jm10208g10.1039/c1jm10208g ↗
2. 10.1039/C4CS90059F10.1039/C4CS90059F ↗
3. 10.1039/C3SC52633J10.1039/C3SC52633J ↗
4. 10.1039/c3cs60244c10.1039/c3cs60244c ↗
5. 10.1039/C1CS15221A10.1039/C1CS15221A ↗
6. 10.1021/cr200327210.1021/cr2003272 ↗
7. 10.1039/C3CS60475F10.1039/C3CS60475F ↗
8. 10.1021/cr200324t10.1021/cr200324t ↗
9. 10.1039/C6DT04722J10.1039/C6DT04722J ↗
10. 10.1039/C4CS00230J10.1039/C4CS00230J ↗
11. 10.1039/C4CS00094C10.1039/C4CS00094C ↗
12. 10.1039/C4CS00103F10.1039/C4CS00103F ↗
13. 10.1039/C3CS60442J10.1039/C3CS60442J ↗
14. 10.1039/C4CS00192C10.1039/C4CS00192C ↗
15. 10.1021/jacs.8b1137410.1021/jacs.8b11374 ↗
16. 10.1039/C8DT03421D10.1039/C8DT03421D ↗
17. 10.1021/acs.inorgchem.7b0051410.1021/acs.inorgchem.7b00514 ↗
18. 10.1021/cg301306m10.1021/cg301306m ↗
19. 10.1039/C9DT01846H10.1039/C9DT01846H ↗
20. 10.1039/C7DT02184D10.1039/C7DT02184D ↗
21. 10.1039/C5DT02100F10.1039/C5DT02100F ↗
22. 10.1126/science.124673810.1126/science.1246738 ↗
23. 10.1039/C4CS00096J10.1039/C4CS00096J ↗
24. 10.1039/C8CC05990J10.1039/C8CC05990J ↗
25. 10.1021/acs.cgd.8b0129010.1021/acs.cgd.8b01290 ↗
26. 10.1002/cplu.20180056910.1002/cplu.201800569 ↗
27. 10.1021/ja508962m10.1021/ja508962m ↗
28. 10.1021/acs.cgd.8b0133510.1021/acs.cgd.8b01335 ↗
29. 10.1021/acssuschemeng.8b0164610.1021/acssuschemeng.8b01646 ↗
30. 10.1039/C6CS00930A10.1039/C6CS00930A ↗
31. 10.1016/j.poly.2016.11.03910.1016/j.poly.2016.11.039 ↗
32. 10.1021/acs.cgd.5b0090210.1021/acs.cgd.5b00902 ↗
33. 10.1002/chem.20150116210.1002/chem.201501162 ↗
34. 10.1002/chem.20140526710.1002/chem.201405267 ↗
35. 10.1021/acsami.9b0615110.1021/acsami.9b06151 ↗
36. 10.1021/acsami.8b0066410.1021/acsami.8b00664 ↗
37. 10.1039/C7TA08399H10.1039/C7TA08399H ↗
38. 10.1021/acs.inorgchem.6b0033210.1021/acs.inorgchem.6b00332 ↗
39. 10.1016/j.saa.2016.01.00810.1016/j.saa.2016.01.008 ↗
40. 10.1021/acsami.5b0016010.1021/acsami.5b00160 ↗
41. 10.1016/j.bios.2014.12.03710.1016/j.bios.2014.12.037 ↗
42. 10.1039/C6CE00244G10.1039/C6CE00244G ↗
43. 10.1002/anie.20070344310.1002/anie.200703443 ↗
44. The WHO Recommended Classification of Pesticides by Hazard and Guidelines to Classification; World Health Organization: Geneva, Switzerland, 2009.
45. 10.1002/zaac.20040018810.1002/zaac.200400188 ↗
46. APEX-II, SAINT, and SADABS; Bruker AXS, Inc.: Madison, WI, 2008.
47. 10.1107/S205327331402637010.1107/S2053273314026370 ↗
48. 10.1107/S205322961402421810.1107/S2053229614024218 ↗