Get quick answers to your questions about the article from our AI researcher chatbot
{'id': 'https://openalex.org/W2319305191', 'doi': 'https://doi.org/10.1021/ic2024605', 'title': 'Computational Insight into a Gold(I) N-Heterocyclic Carbene Mediated Alkyne Hydroamination Reaction', 'display_name': 'Computational Insight into a Gold(I) N-Heterocyclic Carbene Mediated Alkyne Hydroamination Reaction', 'publication_year': 2012, 'publication_date': '2012-05-07', 'ids': {'openalex': 'https://openalex.org/W2319305191', 'doi': 'https://doi.org/10.1021/ic2024605', 'mag': '2319305191', 'pmid': 'https://pubmed.ncbi.nlm.nih.gov/22563697'}, 'language': 'en', 'primary_location': {'is_oa': False, 'landing_page_url': 'https://doi.org/10.1021/ic2024605', 'pdf_url': None, 'source': {'id': 'https://openalex.org/S171072222', 'display_name': 'Inorganic Chemistry', 'issn_l': '0020-1669', 'issn': ['0020-1669', '1520-510X'], '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', 'pubmed'], '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/A5080272311', 'display_name': 'Madanakrishna Katari', 'orcid': None}, 'institutions': [{'id': 'https://openalex.org/I162827531', 'display_name': 'Indian Institute of Technology Bombay', 'ror': 'https://ror.org/02qyf5152', 'country_code': 'IN', 'type': 'education', 'lineage': ['https://openalex.org/I162827531']}], 'countries': ['IN'], 'is_corresponding': False, 'raw_author_name': 'Madanakrishna Katari', 'raw_affiliation_strings': ['Department of Chemistry Indian Institute of Technology Bombay, Powai, Mumbai 400 076, India'], 'affiliations': [{'raw_affiliation_string': 'Department of Chemistry Indian Institute of Technology Bombay, Powai, Mumbai 400 076, India', 'institution_ids': ['https://openalex.org/I162827531']}]}, {'author_position': 'middle', 'author': {'id': 'https://openalex.org/A5076866852', 'display_name': 'Mitta Nageswar Rao', 'orcid': None}, 'institutions': [{'id': 'https://openalex.org/I162827531', 'display_name': 'Indian Institute of Technology Bombay', 'ror': 'https://ror.org/02qyf5152', 'country_code': 'IN', 'type': 'education', 'lineage': ['https://openalex.org/I162827531']}], 'countries': ['IN'], 'is_corresponding': False, 'raw_author_name': 'Mitta Nageswar Rao', 'raw_affiliation_strings': ['Department of Chemistry Indian Institute of Technology Bombay, Powai, Mumbai 400 076, India'], 'affiliations': [{'raw_affiliation_string': 'Department of Chemistry Indian Institute of Technology Bombay, Powai, Mumbai 400 076, India', 'institution_ids': ['https://openalex.org/I162827531']}]}, {'author_position': 'middle', 'author': {'id': 'https://openalex.org/A5054818199', 'display_name': 'Gopalan Rajaraman', 'orcid': 'https://orcid.org/0000-0001-6133-3026'}, 'institutions': [{'id': 'https://openalex.org/I162827531', 'display_name': 'Indian Institute of Technology Bombay', 'ror': 'https://ror.org/02qyf5152', 'country_code': 'IN', 'type': 'education', 'lineage': ['https://openalex.org/I162827531']}], 'countries': ['IN'], 'is_corresponding': False, 'raw_author_name': 'Gopalan Rajaraman', 'raw_affiliation_strings': ['Department of Chemistry Indian Institute of Technology Bombay, Powai, Mumbai 400 076, India'], 'affiliations': [{'raw_affiliation_string': 'Department of Chemistry Indian Institute of Technology Bombay, Powai, Mumbai 400 076, India', 'institution_ids': ['https://openalex.org/I162827531']}]}, {'author_position': 'last', 'author': {'id': 'https://openalex.org/A5053722424', 'display_name': 'Prasenjit Ghosh', 'orcid': 'https://orcid.org/0000-0002-9479-8177'}, 'institutions': [{'id': 'https://openalex.org/I162827531', 'display_name': 'Indian Institute of Technology Bombay', 'ror': 'https://ror.org/02qyf5152', 'country_code': 'IN', 'type': 'education', 'lineage': ['https://openalex.org/I162827531']}], 'countries': ['IN'], 'is_corresponding': False, 'raw_author_name': 'Prasenjit Ghosh', 'raw_affiliation_strings': ['Department of Chemistry Indian Institute of Technology Bombay, Powai, Mumbai 400 076, India'], 'affiliations': [{'raw_affiliation_string': 'Department of Chemistry Indian Institute of Technology Bombay, Powai, Mumbai 400 076, India', 'institution_ids': ['https://openalex.org/I162827531']}]}], 'institution_assertions': [], 'countries_distinct_count': 1, 'institutions_distinct_count': 1, 'corresponding_author_ids': [], 'corresponding_institution_ids': [], 'apc_list': None, 'apc_paid': None, 'fwci': 2.374, 'has_fulltext': True, 'fulltext_origin': 'ngrams', 'cited_by_count': 51, 'citation_normalized_percentile': {'value': 0.917873, 'is_in_top_1_percent': False, 'is_in_top_10_percent': True}, 'cited_by_percentile_year': {'min': 95, 'max': 96}, 'biblio': {'volume': '51', 'issue': '10', 'first_page': '5593', 'last_page': '5604'}, 'is_retracted': False, 'is_paratext': False, 'primary_topic': {'id': 'https://openalex.org/T10871', 'display_name': 'Catalytic Alkyne Reactions', 'score': 0.9987, '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/T10871', 'display_name': 'Catalytic Alkyne Reactions', 'score': 0.9987, '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/T11790', 'display_name': 'N-Heterocyclic Carbenes in Organic and Inorganic Chemistry', 'score': 0.9904, '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/T10030', 'display_name': 'Electrocatalysts for Energy Conversion', 'score': 0.9901, 'subfield': {'id': 'https://openalex.org/subfields/2105', 'display_name': 'Renewable Energy, Sustainability and the Environment'}, 'field': {'id': 'https://openalex.org/fields/21', 'display_name': 'Energy'}, 'domain': {'id': 'https://openalex.org/domains/3', 'display_name': 'Physical Sciences'}}], 'keywords': [{'id': 'https://openalex.org/keywords/hydroamination', 'display_name': 'Hydroamination', 'score': 0.9866209}, {'id': 'https://openalex.org/keywords/alkyne', 'display_name': 'Alkyne', 'score': 0.93625176}, {'id': 'https://openalex.org/keywords/imine', 'display_name': 'Imine', 'score': 0.55820966}, {'id': 'https://openalex.org/keywords/catalytic-cycle', 'display_name': 'Catalytic cycle', 'score': 0.49226943}, {'id': 'https://openalex.org/keywords/enamine', 'display_name': 'Enamine', 'score': 0.45328218}], 'concepts': [{'id': 'https://openalex.org/C7596914', 'wikidata': 'https://www.wikidata.org/wiki/Q1640192', 'display_name': 'Hydroamination', 'level': 3, 'score': 0.9866209}, {'id': 'https://openalex.org/C185592680', 'wikidata': 'https://www.wikidata.org/wiki/Q2329', 'display_name': 'Chemistry', 'level': 0, 'score': 0.9530312}, {'id': 'https://openalex.org/C2779012754', 'wikidata': 'https://www.wikidata.org/wiki/Q159226', 'display_name': 'Alkyne', 'level': 3, 'score': 0.93625176}, {'id': 'https://openalex.org/C2777164566', 'wikidata': 'https://www.wikidata.org/wiki/Q419257', 'display_name': 'Carbene', 'level': 3, 'score': 0.8224474}, {'id': 'https://openalex.org/C2776573223', 'wikidata': 'https://www.wikidata.org/wiki/Q408057', 'display_name': 'Imine', 'level': 3, 'score': 0.55820966}, {'id': 'https://openalex.org/C161790260', 'wikidata': 'https://www.wikidata.org/wiki/Q82264', 'display_name': 'Catalysis', 'level': 2, 'score': 0.507927}, {'id': 'https://openalex.org/C63338738', 'wikidata': 'https://www.wikidata.org/wiki/Q287862', 'display_name': 'Catalytic cycle', 'level': 3, 'score': 0.49226943}, {'id': 'https://openalex.org/C2776378156', 'wikidata': 'https://www.wikidata.org/wiki/Q408018', 'display_name': 'Enamine', 'level': 3, 'score': 0.45328218}, {'id': 'https://openalex.org/C111233374', 'wikidata': 'https://www.wikidata.org/wiki/Q334640', 'display_name': 'Tautomer', 'level': 2, 'score': 0.44866383}, {'id': 'https://openalex.org/C131779359', 'wikidata': 'https://www.wikidata.org/wiki/Q471875', 'display_name': 'Amine gas treating', 'level': 2, 'score': 0.43555403}, {'id': 'https://openalex.org/C155647269', 'wikidata': 'https://www.wikidata.org/wiki/Q243455', 'display_name': 'Medicinal chemistry', 'level': 1, 'score': 0.41661307}, {'id': 'https://openalex.org/C21951064', 'wikidata': 'https://www.wikidata.org/wiki/Q899212', 'display_name': 'Combinatorial chemistry', 'level': 1, 'score': 0.37406158}, {'id': 'https://openalex.org/C71240020', 'wikidata': 'https://www.wikidata.org/wiki/Q186011', 'display_name': 'Stereochemistry', 'level': 1, 'score': 0.32251662}, {'id': 'https://openalex.org/C178790620', 'wikidata': 'https://www.wikidata.org/wiki/Q11351', 'display_name': 'Organic chemistry', 'level': 1, 'score': 0.19503215}], 'mesh': [], 'locations_count': 2, 'locations': [{'is_oa': False, 'landing_page_url': 'https://doi.org/10.1021/ic2024605', 'pdf_url': None, 'source': {'id': 'https://openalex.org/S171072222', 'display_name': 'Inorganic Chemistry', 'issn_l': '0020-1669', 'issn': ['0020-1669', '1520-510X'], '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}, {'is_oa': False, 'landing_page_url': 'https://pubmed.ncbi.nlm.nih.gov/22563697', 'pdf_url': None, 'source': {'id': 'https://openalex.org/S4306525036', 'display_name': 'PubMed', 'issn_l': None, 'issn': None, 'is_oa': False, 'is_in_doaj': False, 'is_core': False, 'host_organization': 'https://openalex.org/I1299303238', 'host_organization_name': 'National Institutes of Health', 'host_organization_lineage': ['https://openalex.org/I1299303238'], 'host_organization_lineage_names': ['National Institutes of Health'], 'type': 'repository'}, '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': 0.74}], 'grants': [], 'datasets': [], 'versions': [], 'referenced_works_count': 108, 'referenced_works': ['https://openalex.org/W1607286065', 'https://openalex.org/W1963539860', 'https://openalex.org/W1964006483', 'https://openalex.org/W1967373020', 'https://openalex.org/W1969952192', 'https://openalex.org/W1970326168', 'https://openalex.org/W1971805518', 'https://openalex.org/W1972681887', 'https://openalex.org/W1973774815', 'https://openalex.org/W1973889727', 'https://openalex.org/W1975569378', 'https://openalex.org/W1975755749', 'https://openalex.org/W1979765673', 'https://openalex.org/W1980896239', 'https://openalex.org/W1981745234', 'https://openalex.org/W1981959549', 'https://openalex.org/W1988091937', 'https://openalex.org/W1993407866', 'https://openalex.org/W1995226840', 'https://openalex.org/W1995657280', 'https://openalex.org/W1995794402', 'https://openalex.org/W1996402211', 'https://openalex.org/W2001048509', 'https://openalex.org/W2002487479', 'https://openalex.org/W2002731549', 'https://openalex.org/W2008381529', 'https://openalex.org/W2014702517', 'https://openalex.org/W2014767176', 'https://openalex.org/W2019079523', 'https://openalex.org/W2019443717', 'https://openalex.org/W2023246165', 'https://openalex.org/W2023271753', 'https://openalex.org/W2024761477', 'https://openalex.org/W2025454460', 'https://openalex.org/W2025925059', 'https://openalex.org/W2029867653', 'https://openalex.org/W2035826786', 'https://openalex.org/W2037770166', 'https://openalex.org/W2038696941', 'https://openalex.org/W2040260291', 'https://openalex.org/W2043333960', 'https://openalex.org/W2046412723', 'https://openalex.org/W2049249446', 'https://openalex.org/W2049272799', 'https://openalex.org/W2052525259', 'https://openalex.org/W2052573265', 'https://openalex.org/W2056099089', 'https://openalex.org/W2057605872', 'https://openalex.org/W2061251356', 'https://openalex.org/W2062004092', 'https://openalex.org/W2067023911', 'https://openalex.org/W2067968235', 'https://openalex.org/W2071208725', 'https://openalex.org/W2073207188', 'https://openalex.org/W2073721494', 'https://openalex.org/W2078146328', 'https://openalex.org/W2078965883', 'https://openalex.org/W2081973768', 'https://openalex.org/W2086957099', 'https://openalex.org/W2089861124', 'https://openalex.org/W2093032397', 'https://openalex.org/W2095474273', 'https://openalex.org/W2097743599', 'https://openalex.org/W2100799540', 'https://openalex.org/W2102725517', 'https://openalex.org/W2110136456', 'https://openalex.org/W2111219100', 'https://openalex.org/W2111356852', 'https://openalex.org/W2117916548', 'https://openalex.org/W2119472660', 'https://openalex.org/W2124344525', 'https://openalex.org/W2128380610', 'https://openalex.org/W2131290274', 'https://openalex.org/W2132888822', 'https://openalex.org/W2135261637', 'https://openalex.org/W2139916893', 'https://openalex.org/W2151645729', 'https://openalex.org/W2153881282', 'https://openalex.org/W2156847578', 'https://openalex.org/W2160304899', 'https://openalex.org/W2164565272', 'https://openalex.org/W2165684207', 'https://openalex.org/W2165811700', 'https://openalex.org/W2168600503', 'https://openalex.org/W2169322915', 'https://openalex.org/W2312839014', 'https://openalex.org/W2315185787', 'https://openalex.org/W2329939475', 'https://openalex.org/W2330262682', 'https://openalex.org/W2334674404', 'https://openalex.org/W2335071051', 'https://openalex.org/W2335422267', 'https://openalex.org/W2401679813', 'https://openalex.org/W2921284057', 'https://openalex.org/W2949091020', 'https://openalex.org/W2949983130', 'https://openalex.org/W2950036044', 'https://openalex.org/W2950312304', 'https://openalex.org/W2950362342', 'https://openalex.org/W2951262502', 'https://openalex.org/W2952361683', 'https://openalex.org/W2952695735', 'https://openalex.org/W2953292610', 'https://openalex.org/W3105152026', 'https://openalex.org/W4229915728', 'https://openalex.org/W4249861647', 'https://openalex.org/W4255088456', 'https://openalex.org/W4289253359'], 'related_works': ['https://openalex.org/W3088480198', 'https://openalex.org/W2522582851', 'https://openalex.org/W2319305191', 'https://openalex.org/W2130072192', 'https://openalex.org/W2112360194', 'https://openalex.org/W2086016154', 'https://openalex.org/W2055168918', 'https://openalex.org/W2024228374', 'https://openalex.org/W2016552739', 'https://openalex.org/W1993407866'], 'abstract_inverted_index': {'A': [0], 'gold(I)': [1, 46], 'N-heterocyclic': [2], 'carbene': [3], '(NHC)': [4], 'complex': [5], 'mediated': [6], 'hydroamination': [7, 33], 'of': [8, 92, 110, 119], 'an': [9], 'alkyne': [10, 23, 65], 'has': [11], 'been': [12, 29], 'modeled': [13], 'using': [14], 'density': [15], 'functional': [16], 'theory': [17], '(DFT)': [18], 'study.': [19], 'In': [20], 'this': [21], 'regard,': [22], 'and': [24, 41, 86], 'amine': [25, 55], 'coordination': [26, 56, 66], 'pathways': [27], 'have': [28], 'investigated': [30], 'for': [31], 'the': [32, 64, 82, 89, 108, 120], 'reaction': [34], 'between': [35, 81], 'two': [36], 'representative': [37], 'substrates,': [38], 'namely,': [39, 51], 'MeC≡CH': [40], 'PhNH2,': [42], 'catalyzed': [43], 'by': [44, 100, 107, 117], 'a': [45, 59, 76, 101], 'NHC': [47], 'based': [48], '(NHC)AuCl-type': [49], 'precatalyst,': [50], '[1,3-dimethylimidazol-2-ylidene]gold': [52], 'chloride.': [53], 'The': [54, 68, 124], 'pathway': [57], 'displayed': [58], 'lower': [60], 'activation': [61, 90], 'barrier': [62, 91], 'than': [63], 'pathway.': [67], 'catalytic': [69], 'cycle': [70], 'is': [71], 'proposed': [72], 'to': [73, 96, 133], 'proceed': [74], 'via': [75], 'crucial': [77], 'proton-transfer': [78], 'step': [79], 'occurring': [80], 'intermediates': [83], '[(NHC)AuCH═CMeNH2Ph]+': [84], '(D)': [85], '[(NHC)Au(PhNHMeC═CH2)]+': [87], '(E),': [88], 'which': [93], 'was': [94, 130], 'found': [95], 'be': [97, 134], 'significantly': [98], 'reduced': [99], 'proton': [102], 'relay': [103], 'mechanism': [104], 'process': [105], 'assisted': [106], 'presence': [109], 'any': [111, 118], 'adventitious': [112], 'H2O': [113], 'molecule': [114], 'or': [115], 'even': [116], 'reacting': [121], 'PhNH2': [122], 'substrates.': [123], 'final': [125], 'hydroaminated': [126], 'enamine': [127], 'product,': [128], 'PhNHMeC═CH2,': [129], 'further': [131], 'seen': [132], 'stabilized': [135], 'in': [136], 'its': [137], 'tautomeric': [138], 'imine': [139], 'form': [140], 'PhN═CMe2.': [141]}, 'cited_by_api_url': 'https://api.openalex.org/works?filter=cites:W2319305191', 'counts_by_year': [{'year': 2023, 'cited_by_count': 3}, {'year': 2022, 'cited_by_count': 5}, {'year': 2021, 'cited_by_count': 2}, {'year': 2020, 'cited_by_count': 2}, {'year': 2019, 'cited_by_count': 6}, {'year': 2018, 'cited_by_count': 4}, {'year': 2017, 'cited_by_count': 7}, {'year': 2016, 'cited_by_count': 6}, {'year': 2015, 'cited_by_count': 1}, {'year': 2014, 'cited_by_count': 6}, {'year': 2013, 'cited_by_count': 7}, {'year': 2012, 'cited_by_count': 2}], 'updated_date': '2024-12-15T18:58:50.245703', 'created_date': '2016-06-24'}