{"id":"https://openalex.org/W2089175406","doi":"https://doi.org/10.1092/6820-jh3k-ea64-9tt6","title":"Electronic Coupling Between Molybdenum and Tungsten Quadruple Bonds in Molecular Squares and Extended Chains Linked by Oxalate, Acetylenedicarboxylate, and Perfluoroterephthalate Bridges","display_name":"Electronic Coupling Between Molybdenum and Tungsten Quadruple Bonds in Molecular Squares and Extended Chains Linked by Oxalate, Acetylenedicarboxylate, and Perfluoroterephthalate Bridges","publication_year":2001,"publication_date":"2001-01-01","ids":{"openalex":"https://openalex.org/W2089175406","doi":"https://doi.org/10.1092/6820-jh3k-ea64-9tt6","mag":"2089175406"},"language":"en","primary_location":{"id":"doi:10.1092/6820-jh3k-ea64-9tt6","doi":"https://doi.org/10.1092/6820-jh3k-ea64-9tt6","is_oa":false,"landing_page_url":"https://doi.org/10.1092/6820-jh3k-ea64-9tt6","pdf_url":null,"source":{"id":"https://openalex.org/S195061198","display_name":"Israel Journal of Chemistry","issn_l":"0021-2148","issn":["0021-2148","1869-5868"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["cwts-core","dongbi-c","jufo-1","norway-1","poland-70","russia-white-list-1"],"host_organization":"https://openalex.org/P4310320595","host_organization_name":"Wiley","host_organization_lineage":["https://openalex.org/P4310320595"],"host_organization_lineage_names":["Wiley"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Israel Journal of Chemistry","raw_type":"journal-article"},"volume":null,"type":"article","indexed_in":["crossref"],"open_access":{"is_oa":false,"oa_status":"closed","oa_url":null,"any_repository_has_fulltext":false},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5003059315","display_name":"Bruce E. Bursten","orcid":"https://orcid.org/0000-0001-9892-6896","observed_orcids":["https://orcid.org/0000-0001-9892-6896"]},"institutions":[{"id":"https://openalex.org/I52357470","display_name":"The Ohio State University","ror":"https://ror.org/00rs6vg23","country_code":"US","type":"education","lineage":["https://openalex.org/I52357470"]}],"countries":["US"],"is_corresponding":true,"raw_author_name":"BRUCE E. BURSTEN","raw_affiliation_strings":["Newman and Wolfrom Laboratory, Department of Chemistry, The Ohio State University, 100 W. 18th Avenue, Columbus, Ohio 43210-1185 USA"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Newman and Wolfrom Laboratory, Department of Chemistry, The Ohio State University, 100 W. 18th Avenue, Columbus, Ohio 43210-1185 USA","institution_ids":["https://openalex.org/I52357470"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5004096016","display_name":"Malcolm H. Chisholm","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I52357470","display_name":"The Ohio State University","ror":"https://ror.org/00rs6vg23","country_code":"US","type":"education","lineage":["https://openalex.org/I52357470"]}],"countries":["US"],"is_corresponding":true,"raw_author_name":"MALCOLM H. CHISHOLM","raw_affiliation_strings":["Newman and Wolfrom Laboratory, Department of Chemistry, The Ohio State University, 100 W. 18th Avenue, Columbus, Ohio 43210-1185 USA"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Newman and Wolfrom Laboratory, Department of Chemistry, The Ohio State University, 100 W. 18th Avenue, Columbus, Ohio 43210-1185 USA","institution_ids":["https://openalex.org/I52357470"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5062225029","display_name":"Christopher M. Hadad","orcid":"https://orcid.org/0000-0003-1211-4315","observed_orcids":["https://orcid.org/0000-0003-1211-4315"]},"institutions":[{"id":"https://openalex.org/I52357470","display_name":"The Ohio State University","ror":"https://ror.org/00rs6vg23","country_code":"US","type":"education","lineage":["https://openalex.org/I52357470"]}],"countries":["US"],"is_corresponding":true,"raw_author_name":"CHRISTOPHER M. HADAD","raw_affiliation_strings":["Newman and Wolfrom Laboratory, Department of Chemistry, The Ohio State University, 100 W. 18th Avenue, Columbus, Ohio 43210-1185 USA"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Newman and Wolfrom Laboratory, Department of Chemistry, The Ohio State University, 100 W. 18th Avenue, Columbus, Ohio 43210-1185 USA","institution_ids":["https://openalex.org/I52357470"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5100361956","display_name":"Jun Li","orcid":"https://orcid.org/0000-0002-8456-3980","observed_orcids":["https://orcid.org/0000-0002-8456-3980"]},"institutions":[{"id":"https://openalex.org/I52357470","display_name":"The Ohio State University","ror":"https://ror.org/00rs6vg23","country_code":"US","type":"education","lineage":["https://openalex.org/I52357470"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"JUN LI","raw_affiliation_strings":["Newman and Wolfrom Laboratory, Department of Chemistry, The Ohio State University, 100 W. 18th Avenue, Columbus, Ohio 43210-1185 USA"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Newman and Wolfrom Laboratory, Department of Chemistry, The Ohio State University, 100 W. 18th Avenue, Columbus, Ohio 43210-1185 USA","institution_ids":["https://openalex.org/I52357470"]}]},{"author_position":"last","author":{"id":null,"display_name":"PAUL J. WILSON","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I52357470","display_name":"The Ohio State University","ror":"https://ror.org/00rs6vg23","country_code":"US","type":"education","lineage":["https://openalex.org/I52357470"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"PAUL J. WILSON","raw_affiliation_strings":["Newman and Wolfrom Laboratory, Department of Chemistry, The Ohio State University, 100 W. 18th Avenue, Columbus, Ohio 43210-1185 USA"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Newman and Wolfrom Laboratory, Department of Chemistry, The Ohio State University, 100 W. 18th Avenue, Columbus, Ohio 43210-1185 USA","institution_ids":["https://openalex.org/I52357470"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":1,"corresponding_author_ids":["https://openalex.org/A5003059315","https://openalex.org/A5004096016","https://openalex.org/A5062225029"],"corresponding_institution_ids":["https://openalex.org/I52357470"],"apc_list":{"value":4650,"currency":"USD","value_usd":4650},"apc_paid":null,"fwci":0.5319,"has_fulltext":false,"cited_by_count":7,"citation_normalized_percentile":{"value":0.65424571,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":null,"biblio":{"volume":"41","issue":"3","first_page":"187","last_page":"195"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10612","display_name":"Magnetism in coordination complexes","score":0.32350000739097595,"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/T10612","display_name":"Magnetism in coordination complexes","score":0.32350000739097595,"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/T10807","display_name":"Synthesis and characterization of novel inorganic/organometallic compounds","score":0.17090000212192535,"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/T10092","display_name":"Organometallic Complex Synthesis and Catalysis","score":0.09099999815225601,"subfield":{"id":"https://openalex.org/subfields/1605","display_name":"Organic Chemistry"},"field":{"id":"https://openalex.org/fields/16","display_name":"Chemistry"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/dinuclear-molybdenum-complexes","display_name":"dimolybdenum complexes","score":0.8090000152587891},{"id":"https://openalex.org/keywords/ditungsten-complexes","display_name":"ditungsten complexes","score":0.9929999709129333},{"id":"https://openalex.org/keywords/oxalate-bridge","display_name":"oxalate bridge","score":0.7429999709129333},{"id":"https://openalex.org/keywords/electronic-coupling","display_name":"electronic coupling","score":0.8289999961853027},{"id":"https://openalex.org/keywords/molecular-chains","display_name":"molecular chains","score":0.6439999938011169},{"id":"https://openalex.org/keywords/molecular-squares","display_name":"molecular squares","score":0.8569999933242798},{"id":"https://openalex.org/keywords/dihedral-angle","display_name":"dihedral angle","score":0.8309999704360962},{"id":"https://openalex.org/keywords/phenyl-ring-orientation","display_name":"phenyl ring orientation","score":0.9319999814033508}],"concepts":[{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.9642598628997803},{"id":"https://openalex.org/C549387045","wikidata":"https://www.wikidata.org/wiki/Q1053","display_name":"Molybdenum","level":2,"score":0.6882548332214355},{"id":"https://openalex.org/C2776351790","wikidata":"https://www.wikidata.org/wiki/Q417351","display_name":"Oxalate","level":2,"score":0.5069156289100647},{"id":"https://openalex.org/C542268612","wikidata":"https://www.wikidata.org/wiki/Q743","display_name":"Tungsten","level":2,"score":0.5062931776046753},{"id":"https://openalex.org/C131584629","wikidata":"https://www.wikidata.org/wiki/Q4308705","display_name":"Coupling (piping)","level":2,"score":0.4920329749584198},{"id":"https://openalex.org/C8010536","wikidata":"https://www.wikidata.org/wiki/Q160398","display_name":"Crystallography","level":1,"score":0.4265536963939667},{"id":"https://openalex.org/C147597530","wikidata":"https://www.wikidata.org/wiki/Q369472","display_name":"Computational chemistry","level":1,"score":0.3567720651626587},{"id":"https://openalex.org/C179104552","wikidata":"https://www.wikidata.org/wiki/Q11165","display_name":"Inorganic chemistry","level":1,"score":0.25463005900382996},{"id":"https://openalex.org/C178790620","wikidata":"https://www.wikidata.org/wiki/Q11351","display_name":"Organic chemistry","level":1,"score":0.18729883432388306},{"id":"https://openalex.org/C191897082","wikidata":"https://www.wikidata.org/wiki/Q11467","display_name":"Metallurgy","level":1,"score":0.1291181445121765},{"id":"https://openalex.org/C192562407","wikidata":"https://www.wikidata.org/wiki/Q228736","display_name":"Materials science","level":0,"score":0.0}],"mesh":[],"locations_count":2,"locations":[{"id":"doi:10.1092/6820-jh3k-ea64-9tt6","doi":"https://doi.org/10.1092/6820-jh3k-ea64-9tt6","is_oa":false,"landing_page_url":"https://doi.org/10.1092/6820-jh3k-ea64-9tt6","pdf_url":null,"source":{"id":"https://openalex.org/S195061198","display_name":"Israel Journal of Chemistry","issn_l":"0021-2148","issn":["0021-2148","1869-5868"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["cwts-core","dongbi-c","jufo-1","norway-1","poland-70","russia-white-list-1"],"host_organization":"https://openalex.org/P4310320595","host_organization_name":"Wiley","host_organization_lineage":["https://openalex.org/P4310320595"],"host_organization_lineage_names":["Wiley"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Israel Journal of Chemistry","raw_type":"journal-article"},{"id":"doi:10.1560/6820-jh3k-ea64-9tt6","doi":"https://doi.org/10.1560/6820-jh3k-ea64-9tt6","is_oa":false,"landing_page_url":"https://doi.org/10.1560/6820-jh3k-ea64-9tt6","pdf_url":null,"source":{"id":"https://openalex.org/S195061198","display_name":"Israel Journal of Chemistry","issn_l":"0021-2148","issn":["0021-2148","1869-5868"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["cwts-core","dongbi-c","jufo-1","norway-1","poland-70","russia-white-list-1"],"host_organization":"https://openalex.org/P4310320595","host_organization_name":"Wiley","host_organization_lineage":["https://openalex.org/P4310320595"],"host_organization_lineage_names":["Wiley"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Israel Journal of Chemistry","raw_type":"journal-article"}],"best_oa_location":null,"sustainable_development_goals":[],"study_designs":[],"awards":[],"funders":[],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":41,"referenced_works":["https://openalex.org/W1912337737","https://openalex.org/W1973479238","https://openalex.org/W1993464243","https://openalex.org/W1993774897","https://openalex.org/W1998866028","https://openalex.org/W2007915346","https://openalex.org/W2008201070","https://openalex.org/W2011984173","https://openalex.org/W2011996969","https://openalex.org/W2013732865","https://openalex.org/W2014992828","https://openalex.org/W2015723183","https://openalex.org/W2020114693","https://openalex.org/W2023271753","https://openalex.org/W2026512342","https://openalex.org/W2035262305","https://openalex.org/W2049079467","https://openalex.org/W2055230539","https://openalex.org/W2055770627","https://openalex.org/W2063663126","https://openalex.org/W2068228867","https://openalex.org/W2086957099","https://openalex.org/W2087009749","https://openalex.org/W2095374362","https://openalex.org/W2108446403","https://openalex.org/W2110508988","https://openalex.org/W2116867576","https://openalex.org/W2118015390","https://openalex.org/W2126952850","https://openalex.org/W2143981217","https://openalex.org/W2166198169","https://openalex.org/W2612765547","https://openalex.org/W2943419509","https://openalex.org/W2949175069","https://openalex.org/W2950913376","https://openalex.org/W2952090444","https://openalex.org/W3138295350","https://openalex.org/W3144642009","https://openalex.org/W3206606417","https://openalex.org/W4235424747","https://openalex.org/W4285719527"],"related_works":["https://openalex.org/W2007640167","https://openalex.org/W1912337737","https://openalex.org/W2111947853","https://openalex.org/W1988293964","https://openalex.org/W2763215441","https://openalex.org/W2128826249","https://openalex.org/W1824604210","https://openalex.org/W2994656851","https://openalex.org/W2026526915","https://openalex.org/W2066899036"],"abstract_inverted_index":{"Abstract":[0],"The":[1],"electronic":[2],"structures":[3],"of":[4,28,31,72,102],"dicarboxylate\u2010bridged":[5],"complexes":[6],"containing":[7],"dimolybdenum":[8],"and":[9,22,34,41,51],"ditungsten":[10],"quadruple":[11],"bonds":[12],"have":[13],"been":[14],"investigated":[15],"using":[16],"density":[17],"function":[18],"theory":[19],"(gradient":[20],"corrected":[21],"time\u2010dependent),":[23],"which":[24],"reveals":[25],"the":[26,45,54,70,73,84,87,91,100,103],"consequences":[27],"strong":[29],"mixing":[30],"M2":[32,55,64],"\u03b4":[33,65],"oxalate":[35],"\u03c0":[36],"orbitals":[37],"within":[38],"extended":[39],"chains":[40],"cyclic":[42],"structures.":[43],"Where":[44],"bridge":[46,67,92],"is":[47,77,93,95],"oxalate,":[48],"acetylene":[49],"dicarboxylate,":[50],"perfluoroterephthalate":[52],"(PFT),":[53],"centers":[56],"are":[57],"in":[58],"all":[59],"cases":[60],"strongly":[61,78],"coupled":[62],"through":[63],"to":[66],"\u03c0\u2010conjugation.":[68],"In":[69],"case":[71],"chain":[74],"compounds,":[75],"this":[76],"mediated":[79],"by":[80],"torsion":[81],"angles":[82],"along":[83],"chain.":[85],"For":[86],"squares,":[88],"only":[89],"when":[90],"PFT":[94],"there":[96],"a":[97],"dependence":[98],"on":[99],"orientation":[101],"phenyl":[104],"ring.":[105]},"counts_by_year":[],"updated_date":"2026-10-30T12:39:25.321706","created_date":"2016-06-24T00:00:00"}
