{"id":"https://openalex.org/W4367181719","doi":"https://doi.org/10.3390/cryst13050738","title":"Structures, Characterization and DFT Studies of Four Novel Nickel Phenanthroline Complexes","display_name":"Structures, Characterization and DFT Studies of Four Novel Nickel Phenanthroline Complexes","publication_year":2023,"publication_date":"2023-04-27","ids":{"openalex":"https://openalex.org/W4367181719","doi":"https://doi.org/10.3390/cryst13050738"},"language":"en","primary_location":{"id":"doi:10.3390/cryst13050738","doi":"https://doi.org/10.3390/cryst13050738","is_oa":true,"landing_page_url":"https://doi.org/10.3390/cryst13050738","pdf_url":"https://www.mdpi.com/2073-4352/13/5/738/pdf?version=1682584470","source":{"id":"https://openalex.org/S4210196485","display_name":"Crystals","issn_l":"2073-4352","issn":["2073-4352"],"is_oa":true,"is_in_doaj":true,"is_core":true,"listed_in":["cwts-core","doaj","norway-1","poland-70","russia-white-list-2","vabb-shw"],"host_organization":"https://openalex.org/P4310310987","host_organization_name":"Multidisciplinary Digital Publishing Institute","host_organization_lineage":["https://openalex.org/P4310310987"],"host_organization_lineage_names":["Multidisciplinary Digital Publishing Institute"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Crystals","raw_type":"journal-article"},"volume":null,"type":"article","is_traditional":true,"indexed_in":["crossref","doaj"],"open_access":{"is_oa":true,"oa_status":"gold","oa_url":"https://www.mdpi.com/2073-4352/13/5/738/pdf?version=1682584470","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5068634924","display_name":"Safiah A. Alramadhan","orcid":"https://orcid.org/0000-0002-4725-1080","observed_orcids":["https://orcid.org/0000-0002-4725-1080"]},"institutions":[{"id":"https://openalex.org/I4210094876","display_name":"Ministry of Education","ror":"https://ror.org/00q919b81","country_code":"SA","type":"government","lineage":["https://openalex.org/I4210094876"]},{"id":"https://openalex.org/I4626487","display_name":"King Faisal University","ror":"https://ror.org/00dn43547","country_code":"SA","type":"education","lineage":["https://openalex.org/I4626487"]}],"countries":["SA"],"is_corresponding":false,"raw_author_name":"Safiah A. Alramadhan","raw_affiliation_strings":["Department of Chemistry, College of Science, King Faisal University, Al-Ahsa 31982, Saudi Arabia","Umm Al-Momineen Maimouna Bint Al-Harth Intermediate, School at the National Guard, Al Khobar Education Office, General Directorate of Education Eastern Province, Ministry of Education, Al Khobar 32416, Saudi Arabia"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Chemistry, College of Science, King Faisal University, Al-Ahsa 31982, Saudi Arabia","institution_ids":["https://openalex.org/I4626487"]},{"raw_affiliation_string":"Umm Al-Momineen Maimouna Bint Al-Harth Intermediate, School at the National Guard, Al Khobar Education Office, General Directorate of Education Eastern Province, Ministry of Education, Al Khobar 32416, Saudi Arabia","institution_ids":["https://openalex.org/I4210094876"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5036004008","display_name":"Hassan Hasan Hammud","orcid":"https://orcid.org/0000-0002-6374-8740","observed_orcids":["https://orcid.org/0000-0002-6374-8740"]},"institutions":[{"id":"https://openalex.org/I4626487","display_name":"King Faisal University","ror":"https://ror.org/00dn43547","country_code":"SA","type":"education","lineage":["https://openalex.org/I4626487"]}],"countries":["SA"],"is_corresponding":true,"raw_author_name":"Hassan H. Hammud","raw_affiliation_strings":["Department of Chemistry, College of Science, King Faisal University, Al-Ahsa 31982, Saudi Arabia"],"raw_orcid":"https://orcid.org/0000-0002-6374-8740","affiliations":[{"raw_affiliation_string":"Department of Chemistry, College of Science, King Faisal University, Al-Ahsa 31982, Saudi Arabia","institution_ids":["https://openalex.org/I4626487"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5075801666","display_name":"Basem F. Ali","orcid":"https://orcid.org/0000-0001-9326-0909","observed_orcids":["https://orcid.org/0000-0001-9326-0909"]},"institutions":[{"id":"https://openalex.org/I31079310","display_name":"Al al-Bayt University","ror":"https://ror.org/028jh2126","country_code":"JO","type":"education","lineage":["https://openalex.org/I31079310"]}],"countries":["JO"],"is_corresponding":true,"raw_author_name":"Basem F. Ali","raw_affiliation_strings":["Department of Chemistry, Al al-Bayt University, Al-Mafraq 25113, Jordan"],"raw_orcid":"https://orcid.org/0000-0001-9326-0909","affiliations":[{"raw_affiliation_string":"Department of Chemistry, Al al-Bayt University, Al-Mafraq 25113, Jordan","institution_ids":["https://openalex.org/I31079310"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5010814638","display_name":"Hazem A. Ghabbour","orcid":"https://orcid.org/0000-0002-1011-0276","observed_orcids":["https://orcid.org/0000-0002-1011-0276"]},"institutions":[{"id":"https://openalex.org/I159247623","display_name":"Mansoura University","ror":"https://ror.org/01k8vtd75","country_code":"EG","type":"education","lineage":["https://openalex.org/I159247623"]}],"countries":["EG"],"is_corresponding":false,"raw_author_name":"Hazem A. Ghabbour","raw_affiliation_strings":["Department of Medicinal Chemistry, Faculty of Pharmacy, University of Mansoura, Mansoura 35516, Egypt"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Medicinal Chemistry, Faculty of Pharmacy, University of Mansoura, Mansoura 35516, Egypt","institution_ids":["https://openalex.org/I159247623"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5029978213","display_name":"Sehrish Sarfaraz","orcid":"https://orcid.org/0000-0002-1286-9331","observed_orcids":["https://orcid.org/0000-0002-1286-9331"]},"institutions":[{"id":"https://openalex.org/I16076960","display_name":"COMSATS University Islamabad","ror":"https://ror.org/00nqqvk19","country_code":"PK","type":"education","lineage":["https://openalex.org/I16076960"]}],"countries":["PK"],"is_corresponding":false,"raw_author_name":"Sehrish Sarfaraz","raw_affiliation_strings":["Department of Chemistry, COMSATS university Islamabad, Abbottabad Campus, Abbottabad KPK 22060, Pakistan"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Chemistry, COMSATS university Islamabad, Abbottabad Campus, Abbottabad KPK 22060, Pakistan","institution_ids":["https://openalex.org/I16076960"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5040582281","display_name":"Khurshid Ayub","orcid":"https://orcid.org/0000-0003-0990-1860","observed_orcids":["https://orcid.org/0000-0003-0990-1860","https://orcid.org/0000-0001-5283-3360"]},"institutions":[{"id":"https://openalex.org/I16076960","display_name":"COMSATS University Islamabad","ror":"https://ror.org/00nqqvk19","country_code":"PK","type":"education","lineage":["https://openalex.org/I16076960"]}],"countries":["PK"],"is_corresponding":true,"raw_author_name":"Khurshid Ayub","raw_affiliation_strings":["Department of Chemistry, COMSATS university Islamabad, Abbottabad Campus, Abbottabad KPK 22060, Pakistan"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Chemistry, COMSATS university Islamabad, Abbottabad Campus, Abbottabad KPK 22060, Pakistan","institution_ids":["https://openalex.org/I16076960"]}]}],"institutions":[],"countries_distinct_count":4,"institutions_distinct_count":5,"corresponding_author_ids":["https://openalex.org/A5036004008","https://openalex.org/A5040582281","https://openalex.org/A5075801666"],"corresponding_institution_ids":["https://openalex.org/I16076960","https://openalex.org/I31079310","https://openalex.org/I4626487"],"apc_list":{"value":2000,"currency":"CHF","value_usd":2224},"apc_paid":{"value":2000,"currency":"CHF","value_usd":2224},"fwci":1.1082,"has_fulltext":true,"cited_by_count":15,"citation_normalized_percentile":{"value":0.73374416,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":96,"max":98},"biblio":{"volume":"13","issue":"5","first_page":"738","last_page":"738"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10464","display_name":"Crystal structures of chemical compounds","score":0.9779999852180481,"subfield":{"id":"https://openalex.org/subfields/1604","display_name":"Inorganic Chemistry"},"field":{"id":"https://openalex.org/fields/16","display_name":"Chemistry"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},"topics":[{"id":"https://openalex.org/T10464","display_name":"Crystal structures of chemical compounds","score":0.9779999852180481,"subfield":{"id":"https://openalex.org/subfields/1604","display_name":"Inorganic 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/T10798","display_name":"Crystallography and molecular interactions","score":0.015699999406933784,"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/T10163","display_name":"Metal complexes synthesis and properties","score":0.00139999995008111,"subfield":{"id":"https://openalex.org/subfields/2730","display_name":"Oncology"},"field":{"id":"https://openalex.org/fields/27","display_name":"Medicine"},"domain":{"id":"https://openalex.org/domains/4","display_name":"Health Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/distorted-octahedral-geometry","display_name":"distorted octahedral geometry","score":0.8240000009536743},{"id":"https://openalex.org/keywords/crystal-structure","display_name":"crystal structure","score":0.8169999718666077},{"id":"https://openalex.org/keywords/crystal-packing","display_name":"crystal packing","score":0.6899999976158142},{"id":"https://openalex.org/keywords/hydrogen-bonding","display_name":"hydrogen bonding","score":0.9649999737739563},{"id":"https://openalex.org/keywords/thermal-decomposition","display_name":"thermal decomposition","score":0.8230000138282776},{"id":"https://openalex.org/keywords/dft-calculations","display_name":"DFT calculations","score":0.4519999921321869}],"concepts":[{"id":"https://openalex.org/C8010536","wikidata":"https://www.wikidata.org/wiki/Q160398","display_name":"Crystallography","level":1,"score":0.7186024785041809},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.6723881959915161},{"id":"https://openalex.org/C2781076698","wikidata":"https://www.wikidata.org/wiki/Q718074","display_name":"Aryl","level":3,"score":0.6701303124427795},{"id":"https://openalex.org/C198819137","wikidata":"https://www.wikidata.org/wiki/Q188884","display_name":"Octahedron","level":3,"score":0.6476432681083679},{"id":"https://openalex.org/C39297587","wikidata":"https://www.wikidata.org/wiki/Q2630364","display_name":"Octahedral molecular geometry","level":3,"score":0.6428003907203674},{"id":"https://openalex.org/C2777660389","wikidata":"https://www.wikidata.org/wiki/Q416005","display_name":"Phenanthroline","level":2,"score":0.6097882986068726},{"id":"https://openalex.org/C112887158","wikidata":"https://www.wikidata.org/wiki/Q169324","display_name":"Hydrogen bond","level":3,"score":0.580207109451294},{"id":"https://openalex.org/C152365726","wikidata":"https://www.wikidata.org/wiki/Q1048589","display_name":"Density functional theory","level":2,"score":0.5696163177490234},{"id":"https://openalex.org/C115624301","wikidata":"https://www.wikidata.org/wiki/Q895901","display_name":"Crystal structure","level":2,"score":0.5639568567276001},{"id":"https://openalex.org/C504270822","wikidata":"https://www.wikidata.org/wiki/Q744","display_name":"Nickel","level":2,"score":0.5390694737434387},{"id":"https://openalex.org/C23029723","wikidata":"https://www.wikidata.org/wiki/Q1193318","display_name":"Halogen bond","level":4,"score":0.47935277223587036},{"id":"https://openalex.org/C2780378348","wikidata":"https://www.wikidata.org/wiki/Q25351438","display_name":"Ring (chemistry)","level":2,"score":0.42555999755859375},{"id":"https://openalex.org/C32909587","wikidata":"https://www.wikidata.org/wiki/Q11369","display_name":"Molecule","level":2,"score":0.2313098907470703},{"id":"https://openalex.org/C147597530","wikidata":"https://www.wikidata.org/wiki/Q369472","display_name":"Computational chemistry","level":1,"score":0.20245736837387085},{"id":"https://openalex.org/C178790620","wikidata":"https://www.wikidata.org/wiki/Q11351","display_name":"Organic chemistry","level":1,"score":0.07023632526397705},{"id":"https://openalex.org/C2780263894","wikidata":"https://www.wikidata.org/wiki/Q335268","display_name":"Alkyl","level":2,"score":0.0}],"mesh":[],"locations_count":2,"locations":[{"id":"doi:10.3390/cryst13050738","doi":"https://doi.org/10.3390/cryst13050738","is_oa":true,"landing_page_url":"https://doi.org/10.3390/cryst13050738","pdf_url":"https://www.mdpi.com/2073-4352/13/5/738/pdf?version=1682584470","source":{"id":"https://openalex.org/S4210196485","display_name":"Crystals","issn_l":"2073-4352","issn":["2073-4352"],"is_oa":true,"is_in_doaj":true,"is_core":true,"listed_in":["cwts-core","doaj","norway-1","poland-70","russia-white-list-2","vabb-shw"],"host_organization":"https://openalex.org/P4310310987","host_organization_name":"Multidisciplinary Digital Publishing Institute","host_organization_lineage":["https://openalex.org/P4310310987"],"host_organization_lineage_names":["Multidisciplinary Digital Publishing Institute"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Crystals","raw_type":"journal-article"},{"id":"pmh:oai:doaj.org/article:df8bbe97f391407795a6883aad63430c","doi":null,"is_oa":true,"landing_page_url":"https://doaj.org/article/df8bbe97f391407795a6883aad63430c","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":"cc-by-sa","license_id":"https://openalex.org/licenses/cc-by-sa","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"Crystals, Vol 13, Iss 5, p 738 (2023)","raw_type":"article"}],"best_oa_location":{"id":"doi:10.3390/cryst13050738","doi":"https://doi.org/10.3390/cryst13050738","is_oa":true,"landing_page_url":"https://doi.org/10.3390/cryst13050738","pdf_url":"https://www.mdpi.com/2073-4352/13/5/738/pdf?version=1682584470","source":{"id":"https://openalex.org/S4210196485","display_name":"Crystals","issn_l":"2073-4352","issn":["2073-4352"],"is_oa":true,"is_in_doaj":true,"is_core":true,"listed_in":["cwts-core","doaj","norway-1","poland-70","russia-white-list-2","vabb-shw"],"host_organization":"https://openalex.org/P4310310987","host_organization_name":"Multidisciplinary Digital Publishing Institute","host_organization_lineage":["https://openalex.org/P4310310987"],"host_organization_lineage_names":["Multidisciplinary Digital Publishing Institute"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Crystals","raw_type":"journal-article"},"sustainable_development_goals":[],"study_designs":[],"awards":[],"funders":[{"id":"https://openalex.org/F4320331156","display_name":"King Faisal University","ror":null}],"has_content":{"pdf":true,"grobid_xml":true},"content_urls":{"pdf":"https://content.openalex.org/works/W4367181719.pdf","grobid_xml":"https://content.openalex.org/works/W4367181719.grobid-xml"},"referenced_works_count":45,"referenced_works":["https://openalex.org/W1496096927","https://openalex.org/W1969203081","https://openalex.org/W1971329003","https://openalex.org/W1983626273","https://openalex.org/W1985621605","https://openalex.org/W1989280300","https://openalex.org/W2007850779","https://openalex.org/W2016493251","https://openalex.org/W2043383327","https://openalex.org/W2045183976","https://openalex.org/W2055816302","https://openalex.org/W2056590061","https://openalex.org/W2056858015","https://openalex.org/W2059699777","https://openalex.org/W2063324840","https://openalex.org/W2066503479","https://openalex.org/W2072025581","https://openalex.org/W2074159001","https://openalex.org/W2082594935","https://openalex.org/W2085850546","https://openalex.org/W2089670424","https://openalex.org/W2093778197","https://openalex.org/W2131350133","https://openalex.org/W2155538923","https://openalex.org/W2295706525","https://openalex.org/W2400897678","https://openalex.org/W2489268315","https://openalex.org/W2555572423","https://openalex.org/W2758251777","https://openalex.org/W3008645677","https://openalex.org/W3086030677","https://openalex.org/W3091094446","https://openalex.org/W3091306220","https://openalex.org/W3094379333","https://openalex.org/W3114208462","https://openalex.org/W3135499814","https://openalex.org/W3136105305","https://openalex.org/W3167813847","https://openalex.org/W3176561397","https://openalex.org/W3197700310","https://openalex.org/W3200219440","https://openalex.org/W3213980999","https://openalex.org/W4200134164","https://openalex.org/W4200498867","https://openalex.org/W6642633159"],"related_works":["https://openalex.org/W2007940475","https://openalex.org/W1482577271","https://openalex.org/W2042051390","https://openalex.org/W4300680272","https://openalex.org/W1002273307","https://openalex.org/W2883248215","https://openalex.org/W2058132667","https://openalex.org/W2369160212","https://openalex.org/W2042748324","https://openalex.org/W2147709958"],"abstract_inverted_index":{"Four":[0],"Ni\u2013phen":[1],"complexes":[2,24,64],"were":[3],"prepared":[4],"and":[5,9,31,46,52,58,71,76,97,120,143,164],"characterized":[6],"by":[7],"FTIR":[8,91],"thermal":[10,111],"analysis.":[11],"The":[12,38,55,152],"X-ray":[13],"structure":[14],"determination":[15],"shows":[16],"that":[17,114,136],"the":[18,63,66,93,102,108,115,125,131,160,169,177,182,186],"geometry":[19],"around":[20],"NiII":[21],"ions":[22],"in":[23,42,85,107,130,155],"1,":[25,43],"[Ni(phen)2(H2O)(ONO2)](NO3);":[26],"2,":[27,44],"[Ni(phen)2(H2O)Cl]Cl;":[28],"3,":[29],"[Ni(phen)(CH3CN)(ONO2)(O2NO)]":[30],"4,":[32],"[Ni(phen)3](NO3)2.H2O.C2H5OH":[33],"is":[34,157,173],"considerably":[35],"distorted":[36,149],"octahedral.":[37],"coordination":[39,94],"core":[40],"geometries":[41],"3":[45],"4":[47],"are":[48,80],"NiN4O2,":[49],"NiN4OCl,":[50],"NiN3O3":[51],"NiN6,":[53],"respectively.":[54],"crystal":[56,59],"packing":[57],"supramolecularity":[60],"analysis":[61,112],"of":[62,68,95,104,117,127,185],"reveal":[65],"importance":[67],"aryl\u2219\u2219\u2219aryl":[69,89],"interactions,":[70],"both":[72],"offset":[73],"face-to-face":[74],"(OFF)":[75],"edge-to-face":[77],"(EF)":[78],"motifs":[79],"dominant.":[81],"Hydrogen":[82],"bonding":[83],"interactions":[84],"these":[86],"structures":[87],"reinforce":[88],"interactions.":[90],"proved":[92],"M-N":[96],"M-Cl":[98],"as":[99,101],"well":[100],"presence":[103],"nitro":[105,121],"groups":[106,122],"complexes,":[109],"while":[110],"revealed":[113],"loss":[116],"water,":[118],"chloro":[119],"occurred":[123],"before":[124],"degradation":[126],"phenanthroline":[128],"ligand":[129],"complexes.":[132],"DFT":[133],"study":[134],"indicates":[135,181],"a":[137],"strong":[138],"correlation":[139],"exists":[140],"among":[141],"theoretical":[142],"experimentally":[144],"determined":[145],"geometric":[146],"parameters":[147],"with":[148],"octahedral":[150],"geometry.":[151],"charge":[153],"density":[154,172],"HOMO":[156],"localized":[158],"on":[159,176],"metal":[161],"halogen":[162],"bond":[163],"nitrate":[165],"group":[166],"(NO3\u2212),":[167],"whereas":[168],"LUMO":[170],"cloud":[171],"mainly":[174],"distributed":[175],"phen":[178],"ring,":[179],"which":[180],"electroactive":[183],"nature":[184],"ring.":[187]},"counts_by_year":[{"year":2026,"cited_by_count":5},{"year":2025,"cited_by_count":6},{"year":2024,"cited_by_count":4}],"updated_date":"2026-11-07T11:25:07.637180","created_date":"2023-04-28T00:00:00"}