{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2025,10,12]],"date-time":"2025-10-12T02:25:38Z","timestamp":1760235938002,"version":"build-2065373602"},"reference-count":67,"publisher":"MDPI AG","issue":"19","license":[{"start":{"date-parts":[[2021,10,5]],"date-time":"2021-10-05T00:00:00Z","timestamp":1633392000000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["Molecules"],"abstract":"<jats:p>UV\u2013Vis spectroscopy was used to investigate two new charge transfer (CT) complexes formed between the K+-channel-blocker amifampridine (AMFP) drug and the two \u03c0-acceptors 2,3-dichloro-5,6-dicyano-p-benzoquinone (DDQ) and tetracyanoethylene (TCNE) in different solvents. The molecular composition of the new CT complexes was estimated using the continuous variations method and found to be 1:1 for both complexes. The formed CT complexes\u2019 electronic spectra data were further employed for calculating the formation constants (KCT), molar extinction coefficients (\u03b5CT), and physical parameters at various temperatures, and the results demonstrated the high stability of both complexes. In addition, sensitive spectrophotometric methods for quantifying AMFP in its pure form were proposed and statistically validated. Furthermore, DFT calculations were used to predict the molecular structures of AMFP\u2013DDQ and AMFP\u2013TCNE complexes in CHCl3. TD-DFT calculations were also used to predict the electronic spectra of both complexes. A CT-based transition band (exp. 399 and 417 nm) for the AMFP\u2013TCNE complex was calculated at 411.5 nm (f = 0.105, HOMO-1 \u2192 LUMO). The two absorption bands at 459 nm (calc. 426.9 nm, f = 0.054) and 584 nm (calc. 628.1 nm, f = 0.111) of the AMFP\u2013DDQ complex were theoretically assigned to HOMO-1 \u2192 LUMO and HOMO \u2192 LUMO excitations, respectively.<\/jats:p>","DOI":"10.3390\/molecules26196037","type":"journal-article","created":{"date-parts":[[2021,10,8]],"date-time":"2021-10-08T21:23:55Z","timestamp":1633728235000},"page":"6037","update-policy":"https:\/\/doi.org\/10.3390\/mdpi_crossmark_policy","source":"Crossref","is-referenced-by-count":2,"title":["New Charge Transfer Complexes of K+-Channel-Blocker Drug (Amifampridine; AMFP) for Sensitive Detection; Solution Investigations and DFT Studies"],"prefix":"10.3390","volume":"26","author":[{"ORCID":"https:\/\/orcid.org\/0000-0001-5040-647X","authenticated-orcid":false,"given":"Reem M.","family":"Alghanmi","sequence":"first","affiliation":[{"name":"Department of Chemistry, College of Science, University of Jeddah, P.O. 80327, Jeddah 21589, Saudi Arabia"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Maram T.","family":"Basha","sequence":"additional","affiliation":[{"name":"Department of Chemistry, College of Science, University of Jeddah, P.O. 80327, Jeddah 21589, Saudi Arabia"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-8405-8370","authenticated-orcid":false,"given":"Saied M.","family":"Soliman","sequence":"additional","affiliation":[{"name":"Department of Chemistry, Faculty of Science, Alexandria University, P.O. 426, Ibrahimia, Alexandria 21525, Egypt"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Razan K.","family":"Alsaeedi","sequence":"additional","affiliation":[{"name":"Department of Chemistry, College of Science, University of Jeddah, P.O. 80327, Jeddah 21589, Saudi Arabia"}],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"1968","published-online":{"date-parts":[[2021,10,5]]},"reference":[{"key":"ref_1","doi-asserted-by":"crossref","first-page":"5372","DOI":"10.1021\/jo9801824","article-title":"Photoinduced electron transfer between acenaphthylene and tetracyanoethylene:\u2009 effect of irradiation mode on reactivity of the charge-transfer complex and the resulted radical ion pair in solution and crystalline state","volume":"63","author":"Haga","year":"1998","journal-title":"J. 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