{"id":"https://openalex.org/W7167683023","doi":"https://doi.org/10.1021/acsomega.6c02717","title":"Experimental and DFT/TD-DFT Insights into Spectroscopic, Solvatochromic, and Nonlinear Optical Properties of Methoxy-Substituted N -Benzylideneaniline Schiff Base Regioisomers","display_name":"Experimental and DFT/TD-DFT Insights into Spectroscopic, Solvatochromic, and Nonlinear Optical Properties of Methoxy-Substituted N -Benzylideneaniline Schiff Base Regioisomers","publication_year":2026,"publication_date":"2026-07-08","ids":{"openalex":"https://openalex.org/W7167683023","doi":"https://doi.org/10.1021/acsomega.6c02717","pmid":"https://pubmed.ncbi.nlm.nih.gov/42495300","pmcid":"https://www.ncbi.nlm.nih.gov/pmc/articles/13393185"},"language":"en","primary_location":{"id":"doi:10.1021/acsomega.6c02717","doi":"https://doi.org/10.1021/acsomega.6c02717","is_oa":true,"landing_page_url":"https://doi.org/10.1021/acsomega.6c02717","pdf_url":"https://pubs.acs.org/doi/pdf/10.1021/acsomega.6c02717?ref=article_openPDF","source":{"id":"https://openalex.org/S4210239500","display_name":"ACS Omega","issn_l":"2470-1343","issn":["2470-1343"],"is_oa":true,"is_in_doaj":true,"is_core":true,"listed_in":["cwts-core","doaj","dongbi-c","jufo-1","ki-jl-1","norway-1","oarl","poland-70","russia-white-list-1","vabb-shw"],"host_organization":"https://openalex.org/P4310320006","host_organization_name":"American Chemical Society","host_organization_lineage":["https://openalex.org/P4310320006"],"host_organization_lineage_names":["American Chemical Society"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"ACS Omega","raw_type":"journal-article"},"parent_works":[],"lineage":["https://openalex.org/W7167683023"],"child_works_count":0,"type":"article","is_traditional":true,"indexed_in":["crossref","doaj","pubmed"],"open_access":{"is_oa":true,"oa_status":"gold","oa_url":"https://pubs.acs.org/doi/pdf/10.1021/acsomega.6c02717?ref=article_openPDF","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5140285056","display_name":"Wilson Bosco Paul Michael","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I4210115584","display_name":"Sacred Heart College","ror":"https://ror.org/02pttbd79","country_code":"IN","type":"education","lineage":["https://openalex.org/I4210115584"]}],"countries":["IN"],"is_corresponding":false,"raw_author_name":"Wilson Bosco Paul Michael","raw_affiliation_strings":["Department of Chemistry","Sacred Heart College"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Chemistry","institution_ids":[]},{"raw_affiliation_string":"Sacred Heart College","institution_ids":["https://openalex.org/I4210115584"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5140229699","display_name":"Hemamalini Abraham","orcid":"https://orcid.org/0009-0004-4309-9132","observed_orcids":["https://orcid.org/0009-0004-4309-9132"]},"institutions":[{"id":"https://openalex.org/I4076070","display_name":"Bharathidasan University","ror":"https://ror.org/02w7vnb60","country_code":"IN","type":"education","lineage":["https://openalex.org/I4076070"]},{"id":"https://openalex.org/I4405272038","display_name":"St. Joseph's College","ror":"https://ror.org/03feb5668","country_code":"IN","type":"education","lineage":["https://openalex.org/I4405272038"]}],"countries":["IN"],"is_corresponding":false,"raw_author_name":"Hemamalini Abraham","raw_affiliation_strings":["Department of Chemistry","St. Joseph\u2019s College, Tiruchirappalli (Affiliated to Bharathidasan University, Tiruchirappalli 620024)"],"raw_orcid":"https://orcid.org/0009-0004-4309-9132","affiliations":[{"raw_affiliation_string":"Department of Chemistry","institution_ids":[]},{"raw_affiliation_string":"St. Joseph\u2019s College, Tiruchirappalli (Affiliated to Bharathidasan University, Tiruchirappalli 620024)","institution_ids":["https://openalex.org/I4076070","https://openalex.org/I4405272038"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5035555629","display_name":"Selvam Amudhan Senthan","orcid":"https://orcid.org/0000-0002-0454-8722","observed_orcids":["https://orcid.org/0000-0002-0454-8722"]},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Selvam Amudhan Senthan","raw_affiliation_strings":["NAWaL Analytical Laboratories India Pvt. Ltd., Electrical & Electronics Industrial Estate, Hosur, Tamil Nadu 635109, India"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"NAWaL Analytical Laboratories India Pvt. Ltd., Electrical & Electronics Industrial Estate, Hosur, Tamil Nadu 635109, India","institution_ids":[]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5078875553","display_name":"Carlson Alexander","orcid":"https://orcid.org/0000-0003-4287-2862","observed_orcids":["https://orcid.org/0000-0003-4287-2862"]},"institutions":[{"id":"https://openalex.org/I141568987","display_name":"Hong Kong Baptist University","ror":"https://ror.org/0145fw131","country_code":"HK","type":"education","lineage":["https://openalex.org/I141568987"]}],"countries":["HK"],"is_corresponding":true,"raw_author_name":"Carlson Alexander","raw_affiliation_strings":["Department of Chemistry, Hong Kong Baptist University, Ho Sing Hang Campus, 224 Waterloo Road, Kowloon Tong, Hong Kong SAR 999077, China"],"raw_orcid":"https://orcid.org/0000-0003-4287-2862","affiliations":[{"raw_affiliation_string":"Department of Chemistry, Hong Kong Baptist University, Ho Sing Hang Campus, 224 Waterloo Road, Kowloon Tong, Hong Kong SAR 999077, China","institution_ids":["https://openalex.org/I141568987"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5039711551","display_name":"A. Irudaya Jothi","orcid":"https://orcid.org/0000-0002-6398-7960","observed_orcids":["https://orcid.org/0000-0002-6398-7960"]},"institutions":[{"id":"https://openalex.org/I4076070","display_name":"Bharathidasan University","ror":"https://ror.org/02w7vnb60","country_code":"IN","type":"education","lineage":["https://openalex.org/I4076070"]},{"id":"https://openalex.org/I4405272038","display_name":"St. Joseph's College","ror":"https://ror.org/03feb5668","country_code":"IN","type":"education","lineage":["https://openalex.org/I4405272038"]}],"countries":["IN"],"is_corresponding":true,"raw_author_name":"A. Irudaya Jothi","raw_affiliation_strings":["Department of Chemistry","St. Joseph\u2019s College, Tiruchirappalli (Affiliated to Bharathidasan University, Tiruchirappalli 620024)"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Chemistry","institution_ids":[]},{"raw_affiliation_string":"St. Joseph\u2019s College, Tiruchirappalli (Affiliated to Bharathidasan University, Tiruchirappalli 620024)","institution_ids":["https://openalex.org/I4076070","https://openalex.org/I4405272038"]}]}],"institutions":[],"countries_distinct_count":2,"institutions_distinct_count":4,"corresponding_author_ids":["https://openalex.org/A5039711551","https://openalex.org/A5078875553"],"corresponding_institution_ids":["https://openalex.org/I141568987","https://openalex.org/I4076070","https://openalex.org/I4405272038"],"apc_list":{"value":1935,"currency":"USD","value_usd":1935},"apc_paid":{"value":1935,"currency":"USD","value_usd":1935},"fwci":2.4917,"has_fulltext":true,"cited_by_count":3,"citation_normalized_percentile":{"value":0.87048875,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":96,"max":97},"biblio":{"volume":"11","issue":"28","first_page":"42208","last_page":"42221"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T11025","display_name":"Nonlinear Optical Materials Research","score":0.9994999766349792,"subfield":{"id":"https://openalex.org/subfields/2504","display_name":"Electronic, Optical and Magnetic Materials"},"field":{"id":"https://openalex.org/fields/25","display_name":"Materials Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},"topics":[{"id":"https://openalex.org/T11025","display_name":"Nonlinear Optical Materials Research","score":0.9994999766349792,"subfield":{"id":"https://openalex.org/subfields/2504","display_name":"Electronic, Optical and Magnetic Materials"},"field":{"id":"https://openalex.org/fields/25","display_name":"Materials Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T11129","display_name":"Photochemistry and Electron Transfer Studies","score":9.999999747378752e-05,"subfield":{"id":"https://openalex.org/subfields/1606","display_name":"Physical and Theoretical Chemistry"},"field":{"id":"https://openalex.org/fields/16","display_name":"Chemistry"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T11177","display_name":"Spectroscopy and Quantum Chemical Studies","score":0.0,"subfield":{"id":"https://openalex.org/subfields/3107","display_name":"Atomic and Molecular Physics, and Optics"},"field":{"id":"https://openalex.org/fields/31","display_name":"Physics and Astronomy"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/schiff-base","display_name":"Schiff base","score":0.9129999876022339},{"id":"https://openalex.org/keywords/benzylideneaniline","display_name":"N-benzylideneaniline","score":0.972000002861023},{"id":"https://openalex.org/keywords/methoxy-substitution","display_name":"methoxy substitution","score":0.7720000147819519},{"id":"https://openalex.org/keywords/regioisomers","display_name":"regioisomers","score":0.9860000014305115},{"id":"https://openalex.org/keywords/solvatochromism","display_name":"solvatochromism","score":0.8339999914169312},{"id":"https://openalex.org/keywords/nonlinear-optical-properties","display_name":"nonlinear optical properties","score":0.9729999899864197},{"id":"https://openalex.org/keywords/donor-pi-acceptor-systems","display_name":"donor-\u03c0-acceptor systems","score":0.8740000128746033},{"id":"https://openalex.org/keywords/substituent-position-effects","display_name":"substituent position effects","score":0.8880000114440918},{"id":"https://openalex.org/keywords/bathochromic-shift","display_name":"bathochromic shift","score":0.9110000133514404},{"id":"https://openalex.org/keywords/molecular-polarizability","display_name":"molecular polarizability","score":0.7129999995231628},{"id":"https://openalex.org/keywords/frontier-molecular-orbitals","display_name":"frontier molecular orbitals","score":0.9369999766349792},{"id":"https://openalex.org/keywords/molecular-electrostatic-potential","display_name":"molecular electrostatic potential","score":0.8629999756813049},{"id":"https://openalex.org/keywords/mulliken-charge-analysis","display_name":"Mulliken charge analysis","score":0.7570000290870667},{"id":"https://openalex.org/keywords/pi-conjugation","display_name":"\u03c0-conjugation","score":0.7300000190734863},{"id":"https://openalex.org/keywords/vibrational-frequencies","display_name":"vibrational frequencies","score":0.4560000002384186}],"concepts":[{"id":"https://openalex.org/C46051903","wikidata":"https://www.wikidata.org/wiki/Q909339","display_name":"Bathochromic shift","level":3,"score":0.9190000295639038},{"id":"https://openalex.org/C67218372","wikidata":"https://www.wikidata.org/wiki/Q905883","display_name":"Solvatochromism","level":3,"score":0.8008000254631042},{"id":"https://openalex.org/C2778689049","wikidata":"https://www.wikidata.org/wiki/Q898422","display_name":"Substituent","level":2,"score":0.7429999709129333},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.677299976348877},{"id":"https://openalex.org/C2776428424","wikidata":"https://www.wikidata.org/wiki/Q2602701","display_name":"Schiff base","level":2,"score":0.593500018119812},{"id":"https://openalex.org/C139358910","wikidata":"https://www.wikidata.org/wiki/Q725417","display_name":"Molecular orbital","level":3,"score":0.5710999965667725},{"id":"https://openalex.org/C2780694488","wikidata":"https://www.wikidata.org/wiki/Q2477036","display_name":"Hyperpolarizability","level":4,"score":0.5181000232696533},{"id":"https://openalex.org/C192468462","wikidata":"https://www.wikidata.org/wiki/Q533543","display_name":"Chromophore","level":2,"score":0.47189998626708984},{"id":"https://openalex.org/C75473681","wikidata":"https://www.wikidata.org/wiki/Q188651","display_name":"Photochemistry","level":1,"score":0.41659998893737793},{"id":"https://openalex.org/C139210041","wikidata":"https://www.wikidata.org/wiki/Q2145840","display_name":"Resonance (particle physics)","level":2,"score":0.4133000075817108},{"id":"https://openalex.org/C147597530","wikidata":"https://www.wikidata.org/wiki/Q369472","display_name":"Computational chemistry","level":1,"score":0.41179999709129333},{"id":"https://openalex.org/C7214806","wikidata":"https://www.wikidata.org/wiki/Q2957735","display_name":"Mulliken population analysis","level":3,"score":0.37959998846054077},{"id":"https://openalex.org/C202235601","wikidata":"https://www.wikidata.org/wiki/Q7361732","display_name":"Structural isomer","level":2,"score":0.3702999949455261},{"id":"https://openalex.org/C41999313","wikidata":"https://www.wikidata.org/wiki/Q489328","display_name":"Molecular physics","level":1,"score":0.3393999934196472},{"id":"https://openalex.org/C173523689","wikidata":"https://www.wikidata.org/wiki/Q215589","display_name":"Dipole","level":2,"score":0.32589998841285706},{"id":"https://openalex.org/C159467904","wikidata":"https://www.wikidata.org/wiki/Q2001702","display_name":"Chemical physics","level":1,"score":0.31060001254081726},{"id":"https://openalex.org/C193547582","wikidata":"https://www.wikidata.org/wiki/Q911331","display_name":"Molecular geometry","level":3,"score":0.30979999899864197},{"id":"https://openalex.org/C2780378348","wikidata":"https://www.wikidata.org/wiki/Q25351438","display_name":"Ring (chemistry)","level":2,"score":0.2948000133037567},{"id":"https://openalex.org/C14158195","wikidata":"https://www.wikidata.org/wiki/Q899637","display_name":"HOMO/LUMO","level":3,"score":0.29339998960494995},{"id":"https://openalex.org/C8010536","wikidata":"https://www.wikidata.org/wiki/Q160398","display_name":"Crystallography","level":1,"score":0.2888000011444092},{"id":"https://openalex.org/C24123453","wikidata":"https://www.wikidata.org/wiki/Q900121","display_name":"Molecular vibration","level":3,"score":0.27720001339912415},{"id":"https://openalex.org/C183971685","wikidata":"https://www.wikidata.org/wiki/Q547605","display_name":"Ab initio quantum chemistry methods","level":3,"score":0.27250000834465027},{"id":"https://openalex.org/C2778148179","wikidata":"https://www.wikidata.org/wiki/Q911571","display_name":"Electron donor","level":3,"score":0.2689000070095062},{"id":"https://openalex.org/C192562407","wikidata":"https://www.wikidata.org/wiki/Q228736","display_name":"Materials science","level":0,"score":0.25999999046325684},{"id":"https://openalex.org/C205049153","wikidata":"https://www.wikidata.org/wiki/Q2698605","display_name":"Polarization (electrochemistry)","level":2,"score":0.25220000743865967},{"id":"https://openalex.org/C2776910235","wikidata":"https://www.wikidata.org/wiki/Q18574","display_name":"Reactivity (psychology)","level":3,"score":0.25049999356269836}],"mesh":[],"locations_count":4,"locations":[{"id":"doi:10.1021/acsomega.6c02717","doi":"https://doi.org/10.1021/acsomega.6c02717","is_oa":true,"landing_page_url":"https://doi.org/10.1021/acsomega.6c02717","pdf_url":"https://pubs.acs.org/doi/pdf/10.1021/acsomega.6c02717?ref=article_openPDF","source":{"id":"https://openalex.org/S4210239500","display_name":"ACS Omega","issn_l":"2470-1343","issn":["2470-1343"],"is_oa":true,"is_in_doaj":true,"is_core":true,"listed_in":["cwts-core","doaj","dongbi-c","jufo-1","ki-jl-1","norway-1","oarl","poland-70","russia-white-list-1","vabb-shw"],"host_organization":"https://openalex.org/P4310320006","host_organization_name":"American Chemical Society","host_organization_lineage":["https://openalex.org/P4310320006"],"host_organization_lineage_names":["American Chemical Society"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"ACS Omega","raw_type":"journal-article"},{"id":"pmh:oai:pubmedcentral.nih.gov:13393185","doi":null,"is_oa":true,"landing_page_url":"https://pmc.ncbi.nlm.nih.gov/articles/PMC13393185/","pdf_url":"https://pmc.ncbi.nlm.nih.gov/articles/PMC13393185/pdf/ao6c02717.pdf","source":{"id":"https://openalex.org/S2764455111","display_name":"PubMed Central","issn_l":null,"issn":null,"is_oa":true,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I1299303238","host_organization_name":"National Institutes of Health","host_organization_lineage":["https://openalex.org/I1299303238"],"host_organization_lineage_names":[],"type":"repository"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"ACS Omega","raw_type":"Text"},{"id":"pmid:42495300","doi":null,"is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/42495300","pdf_url":null,"source":{"id":"https://openalex.org/S4306525036","display_name":"PubMed","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I1299303238","host_organization_name":"National Institutes of Health","host_organization_lineage":["https://openalex.org/I1299303238"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"ACS omega","raw_type":"Journal Article"},{"id":"pmh:oai:doaj.org/article:f708118fff7f474f8b86b27f443fb73a","doi":null,"is_oa":false,"landing_page_url":"https://doaj.org/article/f708118fff7f474f8b86b27f443fb73a","pdf_url":null,"source":{"id":"https://openalex.org/S4306401280","display_name":"DOAJ (DOAJ: Directory of Open Access Journals)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":null,"host_organization_name":null,"host_organization_lineage":[],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"ACS Omega, Vol 11, Iss 28, Pp 42208-42221 (2026)","raw_type":"article"}],"best_oa_location":{"id":"doi:10.1021/acsomega.6c02717","doi":"https://doi.org/10.1021/acsomega.6c02717","is_oa":true,"landing_page_url":"https://doi.org/10.1021/acsomega.6c02717","pdf_url":"https://pubs.acs.org/doi/pdf/10.1021/acsomega.6c02717?ref=article_openPDF","source":{"id":"https://openalex.org/S4210239500","display_name":"ACS Omega","issn_l":"2470-1343","issn":["2470-1343"],"is_oa":true,"is_in_doaj":true,"is_core":true,"listed_in":["cwts-core","doaj","dongbi-c","jufo-1","ki-jl-1","norway-1","oarl","poland-70","russia-white-list-1","vabb-shw"],"host_organization":"https://openalex.org/P4310320006","host_organization_name":"American Chemical Society","host_organization_lineage":["https://openalex.org/P4310320006"],"host_organization_lineage_names":["American Chemical Society"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"ACS Omega","raw_type":"journal-article"},"sustainable_development_goals":[],"study_designs":[],"awards":[],"funders":[{"id":"https://openalex.org/F4320320955","display_name":"Hong Kong Baptist University","ror":"https://ror.org/0145fw131"}],"has_content":{"grobid_xml":true,"pdf":true},"content_urls":{"pdf":"https://content.openalex.org/works/W7167683023.pdf","grobid_xml":"https://content.openalex.org/works/W7167683023.grobid-xml"},"referenced_works_count":78,"referenced_works":["https://openalex.org/W1969094452","https://openalex.org/W1969484618","https://openalex.org/W1978930697","https://openalex.org/W1987305638","https://openalex.org/W1989505184","https://openalex.org/W1996421437","https://openalex.org/W1997151511","https://openalex.org/W2010679523","https://openalex.org/W2027252261","https://openalex.org/W2031550667","https://openalex.org/W2034730307","https://openalex.org/W2053701172","https://openalex.org/W2054164390","https://openalex.org/W2067704487","https://openalex.org/W2068559689","https://openalex.org/W2071447561","https://openalex.org/W2077396070","https://openalex.org/W2086925873","https://openalex.org/W2090391132","https://openalex.org/W2090843765","https://openalex.org/W2095474273","https://openalex.org/W2123542901","https://openalex.org/W2162306858","https://openalex.org/W2311228442","https://openalex.org/W2314300742","https://openalex.org/W2319572788","https://openalex.org/W2334727672","https://openalex.org/W2405220535","https://openalex.org/W2410337331","https://openalex.org/W2554414067","https://openalex.org/W2603220573","https://openalex.org/W2612784604","https://openalex.org/W2764108356","https://openalex.org/W2771050944","https://openalex.org/W2810863531","https://openalex.org/W2900799168","https://openalex.org/W2908942235","https://openalex.org/W2944621737","https://openalex.org/W2946700231","https://openalex.org/W2951603031","https://openalex.org/W2965974879","https://openalex.org/W3035554047","https://openalex.org/W3081650484","https://openalex.org/W3095387774","https://openalex.org/W3213291824","https://openalex.org/W4223581622","https://openalex.org/W4226212276","https://openalex.org/W4230048122","https://openalex.org/W4283711506","https://openalex.org/W4311103811","https://openalex.org/W4318070640","https://openalex.org/W4318274273","https://openalex.org/W4319348729","https://openalex.org/W4321782118","https://openalex.org/W4327978094","https://openalex.org/W4362003626","https://openalex.org/W4388696692","https://openalex.org/W4389265405","https://openalex.org/W4391027877","https://openalex.org/W4391364684","https://openalex.org/W4391774615","https://openalex.org/W4400896269","https://openalex.org/W4401524883","https://openalex.org/W4403979841","https://openalex.org/W4405274486","https://openalex.org/W4406291911","https://openalex.org/W4406489302","https://openalex.org/W4407097185","https://openalex.org/W4407223898","https://openalex.org/W4408258737","https://openalex.org/W4408321240","https://openalex.org/W4409009910","https://openalex.org/W4411739079","https://openalex.org/W4412018238","https://openalex.org/W4413330917","https://openalex.org/W4414677123","https://openalex.org/W4415468457","https://openalex.org/W4417397320"],"related_works":["https://openalex.org/W7149995427","https://openalex.org/W7126176260","https://openalex.org/W2783873662","https://openalex.org/W4404367095","https://openalex.org/W3155473987","https://openalex.org/W2528217951","https://openalex.org/W2996215893","https://openalex.org/W2072614544","https://openalex.org/W4414510729","https://openalex.org/W3092064675"],"abstract_inverted_index":{"High":[0],"Resolution":[1],"Image":[2],"Download":[3],"MS":[4],"PowerPoint":[5],"Slide":[6],"Schiff":[7,38,216],"bases":[8],"bearing":[9],"donor\u2013acceptor":[10,187],"substituents":[11],"represent":[12],"versatile":[13],"D\u2013":[14],"\u03c0":[15,90,92],"\u2013A":[16],"systems":[17],"with":[18,98],"tunable":[19],"electronic":[20,211],"and":[21,30,49,55,62,73,78,82,114,129,135,144,149,156,169,177,212,224],"optical":[22,51,175,223],"properties.":[23,52],"Herein,":[24],"we":[25],"report":[26],"combined":[27],"experimental":[28],"spectroscopic":[29],"DFT/TD-DFT":[31],"(B3LYP/6-311++G(d,p))":[32],"investigations":[33],"of":[34,69,76,88,180,197,215],"methoxy-substituted":[35],"N":[36],"-benzylideneaniline":[37],"base":[39],"regioisomers,":[40],"benchmarked":[41],"against":[42],"unsubstituted":[43,157],"analogues,":[44],"revealing":[45],"substituent":[46,60,167],"position\u2013controlled":[47],"spectral":[48],"nonlinear":[50,222],"The":[53,200],"FT-IR":[54],"NMR":[56],"results":[57],"demonstrate":[58],"that":[59,119,166,186],"identity":[61],"position":[63,168],"significantly":[64,192],"influence":[65],"the":[66,89,103,123,132,153,174,194,210],"vibrational":[67],"frequencies":[68],"characteristic":[70],"IR":[71],"bands":[72],"shielding/deshielding":[74],"patterns":[75],"proton":[77],"carbon":[79],"nuclei.":[80],"UV\u2013Vis":[81],"TD-DFT":[83],"analyses":[84,117],"reveal":[85,185],"bathochromic":[86,147],"shifts":[87,148],"\u2192":[91],"*":[93],"transitions":[94],"in":[95,102,131],"polar":[96],"media":[97],"solvatochromic":[99,150],"sensitivity":[100],"decreasing":[101],"order:":[104],"ortho":[105,133],">":[106],"para":[107,136],"\u226b":[108],"meta":[109,154],".":[110],"Molecular":[111],"electrostatic":[112],"potential":[113,220],"Mulliken":[115],"charge":[116],"indicate":[118],"methoxy":[120,202],"substitution":[121,203],"on":[122],"benzylidene":[124],"ring":[125],"enhances":[126,193],"resonance":[127],"donation":[128],"conjugation":[130],"-":[134],"-isomers,":[137],"leading":[138],"to":[139],"higher":[140],"molecular":[141,160],"electron":[142],"polarization":[143],"consequently":[145],"stronger":[146],"responses":[151,196],"than":[152],"-isomer":[155],"analogues.":[158],"Frontier":[159],"orbital":[161],"(FMO)":[162],"analysis":[163],"further":[164],"confirms":[165],"donor":[170],"strength":[171,188],"critically":[172],"govern":[173],"response":[176],"chemical":[178],"reactivity":[179],"these":[181,198],"systems.":[182,199],"DFT-calculated":[183],"polarizabilities":[184],"tuned":[189],"by":[190],"\u03c0-conjugation":[191],"NLO":[195],"positional":[201],"provides":[204],"an":[205],"effective":[206],"strategy":[207],"for":[208,221],"tuning":[209],"photophysical":[213],"properties":[214],"bases,":[217],"highlighting":[218],"their":[219],"photonic":[225],"applications.":[226]},"counts_by_year":[{"year":2026,"cited_by_count":3}],"updated_date":"2026-11-10T11:39:43.021295","created_date":"2026-07-09T00:00:00"}
