Get quick answers to your questions about the article from our AI researcher chatbot
{'id': 'https://openalex.org/W2532464779', 'doi': 'https://doi.org/10.1021/acs.organomet.6b00651', 'title': 'Magnetic Circular Dichroism and Density Functional Theory Studies of Iron(II)-Pincer Complexes: Insight into Electronic Structure and Bonding Effects of Pincer N-Heterocyclic Carbene Moieties', 'display_name': 'Magnetic Circular Dichroism and Density Functional Theory Studies of Iron(II)-Pincer Complexes: Insight into Electronic Structure and Bonding Effects of Pincer N-Heterocyclic Carbene Moieties', 'publication_year': 2016, 'publication_date': '2016-10-25', 'ids': {'openalex': 'https://openalex.org/W2532464779', 'doi': 'https://doi.org/10.1021/acs.organomet.6b00651', 'mag': '2532464779'}, 'language': 'en', 'primary_location': {'is_oa': False, 'landing_page_url': 'https://doi.org/10.1021/acs.organomet.6b00651', 'pdf_url': None, 'source': {'id': 'https://openalex.org/S4924609', 'display_name': 'Organometallics', 'issn_l': '0276-7333', 'issn': ['0276-7333', '1520-6041'], 'is_oa': False, 'is_in_doaj': False, 'is_core': True, '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': None, 'license_id': None, 'version': None, 'is_accepted': False, 'is_published': False}, 'type': 'article', 'type_crossref': 'journal-article', 'indexed_in': ['crossref'], 'open_access': {'is_oa': False, 'oa_status': 'closed', 'oa_url': None, 'any_repository_has_fulltext': False}, 'authorships': [{'author_position': 'first', 'author': {'id': 'https://openalex.org/A5009117561', 'display_name': 'Tessa M. Baker', 'orcid': 'https://orcid.org/0000-0003-3637-578X'}, 'institutions': [{'id': 'https://openalex.org/I5388228', 'display_name': 'University of Rochester', 'ror': 'https://ror.org/022kthw22', 'country_code': 'US', 'type': 'education', 'lineage': ['https://openalex.org/I5388228']}], 'countries': ['US'], 'is_corresponding': False, 'raw_author_name': 'Tessa M. Baker', 'raw_affiliation_strings': ['Department\rof Chemistry, University of Rochester, Rochester, New York 14627, United States'], 'affiliations': [{'raw_affiliation_string': 'Department\rof Chemistry, University of Rochester, Rochester, New York 14627, United States', 'institution_ids': ['https://openalex.org/I5388228']}]}, {'author_position': 'middle', 'author': {'id': 'https://openalex.org/A5008587185', 'display_name': 'Teresa L. Mako', 'orcid': 'https://orcid.org/0000-0001-7353-9494'}, 'institutions': [{'id': 'https://openalex.org/I103531236', 'display_name': 'Boston College', 'ror': 'https://ror.org/02n2fzt79', 'country_code': 'US', 'type': 'education', 'lineage': ['https://openalex.org/I103531236']}], 'countries': ['US'], 'is_corresponding': False, 'raw_author_name': 'Teresa L. Mako', 'raw_affiliation_strings': ['Department\rof Chemistry, Boston College, Chestnut Hill, Massachusetts 02467, United States'], 'affiliations': [{'raw_affiliation_string': 'Department\rof Chemistry, Boston College, Chestnut Hill, Massachusetts 02467, United States', 'institution_ids': ['https://openalex.org/I103531236']}]}, {'author_position': 'middle', 'author': {'id': 'https://openalex.org/A5058163041', 'display_name': 'Aristidis Vasilopoulos', 'orcid': 'https://orcid.org/0000-0001-7494-7801'}, 'institutions': [{'id': 'https://openalex.org/I103531236', 'display_name': 'Boston College', 'ror': 'https://ror.org/02n2fzt79', 'country_code': 'US', 'type': 'education', 'lineage': ['https://openalex.org/I103531236']}], 'countries': ['US'], 'is_corresponding': False, 'raw_author_name': 'Aristidis Vasilopoulos', 'raw_affiliation_strings': ['Department\rof Chemistry, Boston College, Chestnut Hill, Massachusetts 02467, United States'], 'affiliations': [{'raw_affiliation_string': 'Department\rof Chemistry, Boston College, Chestnut Hill, Massachusetts 02467, United States', 'institution_ids': ['https://openalex.org/I103531236']}]}, {'author_position': 'middle', 'author': {'id': 'https://openalex.org/A5100604093', 'display_name': 'Bo Li', 'orcid': 'https://orcid.org/0000-0002-2676-926X'}, 'institutions': [{'id': 'https://openalex.org/I103531236', 'display_name': 'Boston College', 'ror': 'https://ror.org/02n2fzt79', 'country_code': 'US', 'type': 'education', 'lineage': ['https://openalex.org/I103531236']}], 'countries': ['US'], 'is_corresponding': False, 'raw_author_name': 'Bo Li', 'raw_affiliation_strings': ['Department\rof Chemistry, Boston College, Chestnut Hill, Massachusetts 02467, United States'], 'affiliations': [{'raw_affiliation_string': 'Department\rof Chemistry, Boston College, Chestnut Hill, Massachusetts 02467, United States', 'institution_ids': ['https://openalex.org/I103531236']}]}, {'author_position': 'middle', 'author': {'id': 'https://openalex.org/A5086992939', 'display_name': 'Jeffery A. Byers', 'orcid': 'https://orcid.org/0000-0002-8109-674X'}, 'institutions': [{'id': 'https://openalex.org/I103531236', 'display_name': 'Boston College', 'ror': 'https://ror.org/02n2fzt79', 'country_code': 'US', 'type': 'education', 'lineage': ['https://openalex.org/I103531236']}], 'countries': ['US'], 'is_corresponding': False, 'raw_author_name': 'Jeffery A. Byers', 'raw_affiliation_strings': ['Department\rof Chemistry, Boston College, Chestnut Hill, Massachusetts 02467, United States'], 'affiliations': [{'raw_affiliation_string': 'Department\rof Chemistry, Boston College, Chestnut Hill, Massachusetts 02467, United States', 'institution_ids': ['https://openalex.org/I103531236']}]}, {'author_position': 'last', 'author': {'id': 'https://openalex.org/A5075864515', 'display_name': 'Michael L. Neidig', 'orcid': 'https://orcid.org/0000-0002-2300-3867'}, 'institutions': [{'id': 'https://openalex.org/I5388228', 'display_name': 'University of Rochester', 'ror': 'https://ror.org/022kthw22', 'country_code': 'US', 'type': 'education', 'lineage': ['https://openalex.org/I5388228']}], 'countries': ['US'], 'is_corresponding': False, 'raw_author_name': 'Michael L. Neidig', 'raw_affiliation_strings': ['Department\rof Chemistry, University of Rochester, Rochester, New York 14627, United States'], 'affiliations': [{'raw_affiliation_string': 'Department\rof Chemistry, University of Rochester, Rochester, New York 14627, United States', 'institution_ids': ['https://openalex.org/I5388228']}]}], 'institution_assertions': [], 'countries_distinct_count': 1, 'institutions_distinct_count': 2, 'corresponding_author_ids': [], 'corresponding_institution_ids': [], 'apc_list': None, 'apc_paid': None, 'fwci': 1.07, 'has_fulltext': True, 'fulltext_origin': 'ngrams', 'cited_by_count': 16, 'citation_normalized_percentile': {'value': 0.691562, 'is_in_top_1_percent': False, 'is_in_top_10_percent': False}, 'cited_by_percentile_year': {'min': 89, 'max': 90}, 'biblio': {'volume': '35', 'issue': '21', 'first_page': '3692', 'last_page': '3700'}, 'is_retracted': False, 'is_paratext': False, 'primary_topic': {'id': 'https://openalex.org/T11790', 'display_name': 'N-Heterocyclic Carbenes in Organic and Inorganic Chemistry', 'score': 0.9999, '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'}}, 'topics': [{'id': 'https://openalex.org/T11790', 'display_name': 'N-Heterocyclic Carbenes in Organic and Inorganic Chemistry', 'score': 0.9999, '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'}}, {'id': 'https://openalex.org/T10548', 'display_name': 'Catalytic Cross-Coupling Reactions', 'score': 0.9993, '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'}}, {'id': 'https://openalex.org/T11281', 'display_name': 'Asymmetric Hydrogenation and Catalysis', 'score': 0.997, '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'}}], 'keywords': [{'id': 'https://openalex.org/keywords/pincer-ligand', 'display_name': 'Pincer ligand', 'score': 0.7992413}], 'concepts': [{'id': 'https://openalex.org/C91819851', 'wikidata': 'https://www.wikidata.org/wiki/Q146889', 'display_name': 'Pincer movement', 'level': 3, 'score': 0.9954138}, {'id': 'https://openalex.org/C185592680', 'wikidata': 'https://www.wikidata.org/wiki/Q2329', 'display_name': 'Chemistry', 'level': 0, 'score': 0.87077713}, {'id': 'https://openalex.org/C2778468751', 'wikidata': 'https://www.wikidata.org/wiki/Q1332703', 'display_name': 'Pincer ligand', 'level': 4, 'score': 0.7992413}, {'id': 'https://openalex.org/C116569031', 'wikidata': 'https://www.wikidata.org/wiki/Q899107', 'display_name': 'Ligand (biochemistry)', 'level': 3, 'score': 0.6173322}, {'id': 'https://openalex.org/C2777164566', 'wikidata': 'https://www.wikidata.org/wiki/Q419257', 'display_name': 'Carbene', 'level': 3, 'score': 0.6154845}, {'id': 'https://openalex.org/C161790260', 'wikidata': 'https://www.wikidata.org/wiki/Q82264', 'display_name': 'Catalysis', 'level': 2, 'score': 0.4765052}, {'id': 'https://openalex.org/C152365726', 'wikidata': 'https://www.wikidata.org/wiki/Q1048589', 'display_name': 'Density functional theory', 'level': 2, 'score': 0.4717052}, {'id': 'https://openalex.org/C8010536', 'wikidata': 'https://www.wikidata.org/wiki/Q160398', 'display_name': 'Crystallography', 'level': 1, 'score': 0.43777868}, {'id': 'https://openalex.org/C71240020', 'wikidata': 'https://www.wikidata.org/wiki/Q186011', 'display_name': 'Stereochemistry', 'level': 1, 'score': 0.38174862}, {'id': 'https://openalex.org/C147597530', 'wikidata': 'https://www.wikidata.org/wiki/Q369472', 'display_name': 'Computational chemistry', 'level': 1, 'score': 0.23830152}, {'id': 'https://openalex.org/C178790620', 'wikidata': 'https://www.wikidata.org/wiki/Q11351', 'display_name': 'Organic chemistry', 'level': 1, 'score': 0.12293649}, {'id': 'https://openalex.org/C55493867', 'wikidata': 'https://www.wikidata.org/wiki/Q7094', 'display_name': 'Biochemistry', 'level': 1, 'score': 0.0}, {'id': 'https://openalex.org/C170493617', 'wikidata': 'https://www.wikidata.org/wiki/Q208467', 'display_name': 'Receptor', 'level': 2, 'score': 0.0}], 'mesh': [], 'locations_count': 1, 'locations': [{'is_oa': False, 'landing_page_url': 'https://doi.org/10.1021/acs.organomet.6b00651', 'pdf_url': None, 'source': {'id': 'https://openalex.org/S4924609', 'display_name': 'Organometallics', 'issn_l': '0276-7333', 'issn': ['0276-7333', '1520-6041'], 'is_oa': False, 'is_in_doaj': False, 'is_core': True, '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': None, 'license_id': None, 'version': None, 'is_accepted': False, 'is_published': False}], 'best_oa_location': None, 'sustainable_development_goals': [{'id': 'https://metadata.un.org/sdg/6', 'display_name': 'Clean water and sanitation', 'score': 0.43}], 'grants': [{'funder': 'https://openalex.org/F4320306151', 'funder_display_name': 'Alfred P. Sloan Foundation', 'award_id': None}, {'funder': 'https://openalex.org/F4320332454', 'funder_display_name': 'American Chemical Society Petroleum Research Fund', 'award_id': '53621-DNI3'}, {'funder': 'https://openalex.org/F4320337393', 'funder_display_name': 'Division of Chemistry', 'award_id': 'CHE-1454370'}], 'datasets': ['https://openalex.org/W4397313745'], 'versions': [], 'referenced_works_count': 58, 'referenced_works': ['https://openalex.org/W1606260657', 'https://openalex.org/W1743043402', 'https://openalex.org/W1968583234', 'https://openalex.org/W1969335186', 'https://openalex.org/W1969473376', 'https://openalex.org/W1970326168', 'https://openalex.org/W1981671136', 'https://openalex.org/W1982356449', 'https://openalex.org/W1983684033', 'https://openalex.org/W1986858488', 'https://openalex.org/W1988091937', 'https://openalex.org/W1988742188', 'https://openalex.org/W1989631271', 'https://openalex.org/W1996846370', 'https://openalex.org/W1997151511', 'https://openalex.org/W1997503806', 'https://openalex.org/W2005068382', 'https://openalex.org/W2013740232', 'https://openalex.org/W2017112667', 'https://openalex.org/W2022588378', 'https://openalex.org/W2023271753', 'https://openalex.org/W2025392130', 'https://openalex.org/W2032116402', 'https://openalex.org/W2036527833', 'https://openalex.org/W2040547651', 'https://openalex.org/W2040569466', 'https://openalex.org/W2044253197', 'https://openalex.org/W2055269396', 'https://openalex.org/W2055952940', 'https://openalex.org/W2057278919', 'https://openalex.org/W2058210956', 'https://openalex.org/W2058692022', 'https://openalex.org/W2063383175', 'https://openalex.org/W2064090794', 'https://openalex.org/W2072245783', 'https://openalex.org/W2079728825', 'https://openalex.org/W2082686039', 'https://openalex.org/W2084910777', 'https://openalex.org/W2089307567', 'https://openalex.org/W2096747776', 'https://openalex.org/W2132995409', 'https://openalex.org/W2136711287', 'https://openalex.org/W2136745331', 'https://openalex.org/W2151220474', 'https://openalex.org/W2153356529', 'https://openalex.org/W2157853748', 'https://openalex.org/W2180239524', 'https://openalex.org/W2315899153', 'https://openalex.org/W2317059881', 'https://openalex.org/W2321226657', 'https://openalex.org/W2321788911', 'https://openalex.org/W2321928490', 'https://openalex.org/W2333251652', 'https://openalex.org/W2333486090', 'https://openalex.org/W2474686407', 'https://openalex.org/W2612569584', 'https://openalex.org/W2950394689', 'https://openalex.org/W2951503210'], 'related_works': ['https://openalex.org/W4393930718', 'https://openalex.org/W2953276943', 'https://openalex.org/W2901101435', 'https://openalex.org/W2789939821', 'https://openalex.org/W2783815941', 'https://openalex.org/W2775650659', 'https://openalex.org/W2739095113', 'https://openalex.org/W2407789104', 'https://openalex.org/W2331055342', 'https://openalex.org/W2071139478'], 'abstract_inverted_index': {'Iron': [0], 'complexes': [1, 25], 'containing': [2], 'pincer': [3, 43, 78, 111, 166, 175], 'ligands': [4, 44], 'that': [5, 26, 38, 84, 103], 'incorporate': [6], 'N-heterocyclic': [7], 'carbene': [8], '(NHC)': [9], 'moieties': [10, 41, 108, 137, 163], 'are': [11, 141], 'of': [12, 58, 77, 118, 124, 135, 157, 160, 173], 'significant': [13], 'interest': [14], 'in': [15, 18, 51, 148, 164], 'organometallic': [16], 'catalysis': [17], 'order': [19, 33], 'to': [20, 34, 95, 132, 143, 146], 'generate': [21], 'more': [22], 'oxidatively': [23], 'robust': [24], 'may': [27], 'exhibit': [28], 'novel': [29], 'catalytic': [30], 'properties.': [31], 'In': [32], 'define': [35], 'the': [36, 68, 85, 96, 110, 114, 119, 122, 125, 133, 158, 161, 165, 169, 174], 'effect': [37], 'introducing': [39, 106], 'NHC': [40, 107, 136, 162], 'into': [42, 109], 'has': [45], 'on': [46], 'electronic': [47, 69], 'structure': [48], 'and': [49, 55, 61, 71, 100, 121, 150, 168], 'bonding': [50, 72, 99, 153], 'iron(II)-pincer': [52], 'complexes,': [53], 'MCD': [54], 'DFT': [56], 'studies': [57, 66], '(iPrCDA)FeBr2,': [59], '(iPrPDI)FeBr2,': [60], '(iPrCNC)FeBr2': [62], 'were': [63], 'performed.': [64], 'These': [65], 'quantify': [67], 'structures': [70], 'interactions': [73], 'as': [74, 154], 'a': [75, 155], 'function': [76], 'ligand': [79, 87, 167], 'variation.': [80], 'They': [81], 'also': [82], 'demonstrate': [83], 'observed': [86], 'fields': [88], '(and,': [89], 'hence,': [90], 'spin': [91], 'states)': [92], 'directly': [93, 130], 'correlate': [94, 131], 'increased': [97], 'Fe–C': [98, 149], 'pincer-donating': [101], 'abilities': [102, 117], 'result': [104, 156], 'from': [105], 'ligand.': [112], 'However,': [113], 'net': [115], 'donor': [116], 'pincers': [120], 'strength': [123], 'Fe-pincer': [126, 152], 'interaction': [127], 'do': [128], 'not': [129], 'number': [134], 'present,': [138], 'but': [139], 'instead': [140], 'determined': [142], 'be': [144], 'due': [145], 'differences': [147], 'overall': [151, 170], 'position': [159], 'geometric': [171], 'constraints': [172], 'architecture.': [176]}, 'cited_by_api_url': 'https://api.openalex.org/works?filter=cites:W2532464779', 'counts_by_year': [{'year': 2024, 'cited_by_count': 2}, {'year': 2021, 'cited_by_count': 4}, {'year': 2020, 'cited_by_count': 2}, {'year': 2019, 'cited_by_count': 2}, {'year': 2018, 'cited_by_count': 2}, {'year': 2017, 'cited_by_count': 4}], 'updated_date': '2024-12-07T22:55:42.601350', 'created_date': '2016-10-28'}