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The second\u2010order algebraic diagrammatic construction, ADC(2), ab initio wave function is employed with the COSMO implicit and discrete multiscale solvation methods. We found a decreasing amine group torsion angle with increased solvent polarity and a linear correlation between the polarity and ADC(2) transition energies. The first absorption band involves \u03c0\u2009\u2192\u2009\u03c0* transitions with ICT from the amine and the benzene ring to the nitro group, increased by 4%\u201311% for different solvation models of water compared to the vacuum. A second band of\n                    <jats:italic>p<\/jats:italic>\n                    NA is characterized for the first time. This band is primarily a local excitation on the nitro group, including some ICT from the amine group to the benzene ring that decreases with the solvent polarity. For cyclohexane, the COSMO implicit solvent model shows the best agreement with the experiment, while the explicit model has the best agreement for water.\n                  <\/jats:p>","DOI":"10.1002\/jcc.27493","type":"journal-article","created":{"date-parts":[[2024,8,30]],"date-time":"2024-08-30T05:09:45Z","timestamp":1724994585000},"page":"2899-2911","update-policy":"https:\/\/doi.org\/10.1002\/crossmark_policy","source":"Crossref","is-referenced-by-count":6,"title":["Ab initio electronic absorption spectra of\n                    <scp>\n                      <i>para<\/i>\n                    <\/scp>\n                    \u2010nitroaniline in different solvents: Intramolecular charge transfer effects"],"prefix":"10.1002","volume":"45","author":[{"ORCID":"https:\/\/orcid.org\/0009-0003-3029-1902","authenticated-orcid":false,"given":"Matheus","family":"M\u00e1ximo\u2010Canadas","sequence":"first","affiliation":[{"name":"Departamento de Qu\u00edmica Instituto Militar de Engenharia (IME)  Rio de Janeiro Rio de Janeiro Brazil"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-7759-0094","authenticated-orcid":false,"given":"Lucas","family":"Modesto\u2010Costa","sequence":"additional","affiliation":[{"name":"Department of Physics Federal Rural University of Rio de Janeiro  Serop\u00e9dica Rio de Janeiro Brazil"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-8492-1223","authenticated-orcid":false,"suffix":"Jr","given":"Itamar","family":"Borges","sequence":"additional","affiliation":[{"name":"Departamento de Qu\u00edmica Instituto Militar de Engenharia (IME)  Rio de Janeiro Rio de Janeiro Brazil"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"311","published-online":{"date-parts":[[2024,8,30]]},"reference":[{"key":"e_1_2_8_2_1","doi-asserted-by":"publisher","DOI":"10.1039\/C4RA11264D"},{"key":"e_1_2_8_3_1","doi-asserted-by":"publisher","DOI":"10.1002\/9783527801916"},{"key":"e_1_2_8_4_1","doi-asserted-by":"publisher","DOI":"10.1039\/C4OB00147H"},{"key":"e_1_2_8_5_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.tet.2014.05.050"},{"key":"e_1_2_8_6_1","doi-asserted-by":"publisher","DOI":"10.1073\/pnas.251555298"},{"key":"e_1_2_8_7_1","doi-asserted-by":"publisher","DOI":"10.1002\/chem.200801911"},{"key":"e_1_2_8_8_1","doi-asserted-by":"publisher","DOI":"10.1039\/C4CP02900C"},{"key":"e_1_2_8_9_1","doi-asserted-by":"publisher","DOI":"10.1021\/ja8087482"},{"key":"e_1_2_8_10_1","doi-asserted-by":"publisher","DOI":"10.1021\/am505572v"},{"key":"e_1_2_8_11_1","doi-asserted-by":"publisher","DOI":"10.3390\/molecules22091522"},{"key":"e_1_2_8_12_1","doi-asserted-by":"publisher","DOI":"10.1002\/chem.200600037"},{"key":"e_1_2_8_13_1","doi-asserted-by":"publisher","DOI":"10.1002\/adma.201704510"},{"key":"e_1_2_8_14_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.solmat.2013.09.005"},{"key":"e_1_2_8_15_1","doi-asserted-by":"publisher","DOI":"10.1007\/s40843-016-5170-2"},{"key":"e_1_2_8_16_1","doi-asserted-by":"publisher","DOI":"10.1021\/ar400264e"},{"key":"e_1_2_8_17_1","doi-asserted-by":"publisher","DOI":"10.1002\/adma.201606448"},{"key":"e_1_2_8_18_1","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.27208"},{"key":"e_1_2_8_19_1","doi-asserted-by":"publisher","DOI":"10.1063\/1.1679401"},{"key":"e_1_2_8_20_1","doi-asserted-by":"publisher","DOI":"10.1021\/ja00510a013"},{"key":"e_1_2_8_21_1","doi-asserted-by":"publisher","DOI":"10.1021\/jp110026c"},{"key":"e_1_2_8_22_1","doi-asserted-by":"publisher","DOI":"10.1021\/jp310964k"},{"key":"e_1_2_8_23_1","doi-asserted-by":"publisher","DOI":"10.1016\/0584-8539(77)80143-8"},{"key":"e_1_2_8_24_1","doi-asserted-by":"publisher","DOI":"10.1002\/cphc.201200637"},{"key":"e_1_2_8_25_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.cplett.2014.01.041"},{"key":"e_1_2_8_26_1","doi-asserted-by":"publisher","DOI":"10.1016\/0009-2614(96)00928-1"},{"key":"e_1_2_8_27_1","doi-asserted-by":"publisher","DOI":"10.1021\/acscentsci.6b00291"},{"key":"e_1_2_8_28_1","doi-asserted-by":"publisher","DOI":"10.1021\/jp9639861"},{"key":"e_1_2_8_29_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.rsurfi.2022.100069"},{"key":"e_1_2_8_30_1","doi-asserted-by":"publisher","DOI":"10.1080\/01932690802540004"},{"key":"e_1_2_8_31_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.optmat.2020.110378"},{"key":"e_1_2_8_32_1","doi-asserted-by":"publisher","DOI":"10.1007\/s00604-018-2911-6"},{"key":"e_1_2_8_33_1","doi-asserted-by":"publisher","DOI":"10.1007\/s00894-024-05917-0"},{"key":"e_1_2_8_34_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.seppur.2014.12.035"},{"key":"e_1_2_8_35_1","doi-asserted-by":"publisher","DOI":"10.1016\/S1383-5742(02)00008-X"},{"key":"e_1_2_8_36_1","doi-asserted-by":"publisher","DOI":"10.1007\/s00216-020-02785-4"},{"key":"e_1_2_8_37_1","volume":"2","author":"Homocianu M.","year":"2017","journal-title":"J. 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