{"id":"https://openalex.org/W4246721907","doi":"https://doi.org/10.1002/ange.201103981","title":"Crystallography Aided by Atomic Core\u2010Level Binding Energies: Proton Transfer versus Hydrogen Bonding in Organic Crystal Structures","display_name":"Crystallography Aided by Atomic Core\u2010Level Binding Energies: Proton Transfer versus Hydrogen Bonding in Organic Crystal Structures","publication_year":2011,"publication_date":"2011-09-16","ids":{"openalex":"https://openalex.org/W4246721907","doi":"https://doi.org/10.1002/ange.201103981"},"language":"en","primary_location":{"id":"doi:10.1002/ange.201103981","doi":"https://doi.org/10.1002/ange.201103981","is_oa":false,"landing_page_url":"https://doi.org/10.1002/ange.201103981","pdf_url":null,"source":{"id":"https://openalex.org/S4210200754","display_name":"Angewandte Chemie","issn_l":"0044-8249","issn":["0044-8249","0932-2140","1521-3757"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["cwts-core","norway-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":"Angewandte Chemie","raw_type":"journal-article"},"volume":null,"type":"article","is_traditional":true,"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/A5031022610","display_name":"Joanna S. Stevens","orcid":"https://orcid.org/0000-0002-1013-8447","observed_orcids":["https://orcid.org/0000-0002-1013-8447"]},"institutions":[{"id":"https://openalex.org/I28407311","display_name":"University of Manchester","ror":"https://ror.org/027m9bs27","country_code":"GB","type":"education","lineage":["https://openalex.org/I28407311"]}],"countries":["GB"],"is_corresponding":false,"raw_author_name":"Joanna S. Stevens","raw_affiliation_strings":["School of Chemical Engineering and Analytical Science, The University of Manchester, Oxford Road, Manchester, M13 9PL (UK)"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"School of Chemical Engineering and Analytical Science, The University of Manchester, Oxford Road, Manchester, M13 9PL (UK)","institution_ids":["https://openalex.org/I28407311"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5038101570","display_name":"Stephen J. Byard","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I3018075036","display_name":"Sanofi (France)","ror":"https://ror.org/02n6c9837","country_code":"FR","type":"company","lineage":["https://openalex.org/I3018075036"]},{"id":"https://openalex.org/I4210149716","display_name":"Sanofi (United Kingdom)","ror":"https://ror.org/05bf2vj98","country_code":"GB","type":"company","lineage":["https://openalex.org/I3018075036","https://openalex.org/I4210149716"]}],"countries":["FR","GB"],"is_corresponding":false,"raw_author_name":"Stephen J. Byard","raw_affiliation_strings":["Analytical Sciences, Sanofi-Aventis, Willowburn Avenue, Alnwick, Northumberland, NE66 2JH (UK)"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Analytical Sciences, Sanofi-Aventis, Willowburn Avenue, Alnwick, Northumberland, NE66 2JH (UK)","institution_ids":["https://openalex.org/I3018075036","https://openalex.org/I4210149716"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5015924159","display_name":"Colin C. Seaton","orcid":"https://orcid.org/0000-0003-4094-720X","observed_orcids":["https://orcid.org/0000-0003-4094-720X"]},"institutions":[{"id":"https://openalex.org/I28407311","display_name":"University of Manchester","ror":"https://ror.org/027m9bs27","country_code":"GB","type":"education","lineage":["https://openalex.org/I28407311"]}],"countries":["GB"],"is_corresponding":false,"raw_author_name":"Colin C. Seaton","raw_affiliation_strings":["School of Chemical Engineering and Analytical Science, The University of Manchester, Oxford Road, Manchester, M13 9PL (UK)"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"School of Chemical Engineering and Analytical Science, The University of Manchester, Oxford Road, Manchester, M13 9PL (UK)","institution_ids":["https://openalex.org/I28407311"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5015048686","display_name":"G. Sadiq","orcid":"https://orcid.org/0000-0001-6638-8464","observed_orcids":["https://orcid.org/0000-0001-6638-8464"]},"institutions":[{"id":"https://openalex.org/I28407311","display_name":"University of Manchester","ror":"https://ror.org/027m9bs27","country_code":"GB","type":"education","lineage":["https://openalex.org/I28407311"]}],"countries":["GB"],"is_corresponding":false,"raw_author_name":"Ghazala Sadiq","raw_affiliation_strings":["School of Chemical Engineering and Analytical Science, The University of Manchester, Oxford Road, Manchester, M13 9PL (UK)"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"School of Chemical Engineering and Analytical Science, The University of Manchester, Oxford Road, Manchester, M13 9PL (UK)","institution_ids":["https://openalex.org/I28407311"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5022470737","display_name":"Roger J. Davey","orcid":"https://orcid.org/0000-0002-4690-1774","observed_orcids":["https://orcid.org/0000-0002-4690-1774"]},"institutions":[{"id":"https://openalex.org/I28407311","display_name":"University of Manchester","ror":"https://ror.org/027m9bs27","country_code":"GB","type":"education","lineage":["https://openalex.org/I28407311"]}],"countries":["GB"],"is_corresponding":false,"raw_author_name":"Roger J. Davey","raw_affiliation_strings":["School of Chemical Engineering and Analytical Science, The University of Manchester, Oxford Road, Manchester, M13 9PL (UK)"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"School of Chemical Engineering and Analytical Science, The University of Manchester, Oxford Road, Manchester, M13 9PL (UK)","institution_ids":["https://openalex.org/I28407311"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5006756114","display_name":"Sven L. M. Schroeder","orcid":"https://orcid.org/0000-0002-4232-5378","observed_orcids":["https://orcid.org/0000-0002-4232-5378"]},"institutions":[{"id":"https://openalex.org/I28407311","display_name":"University of Manchester","ror":"https://ror.org/027m9bs27","country_code":"GB","type":"education","lineage":["https://openalex.org/I28407311"]}],"countries":["GB"],"is_corresponding":true,"raw_author_name":"Sven L. M. Schroeder","raw_affiliation_strings":["School of Chemical Engineering and Analytical Science, The University of Manchester, Oxford Road, Manchester, M13 9PL (UK)","School of Chemistry, The University of Manchester, Oxford Road, Manchester, M13 9PL (UK)"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"School of Chemical Engineering and Analytical Science, The University of Manchester, Oxford Road, Manchester, M13 9PL (UK)","institution_ids":["https://openalex.org/I28407311"]},{"raw_affiliation_string":"School of Chemistry, The University of Manchester, Oxford Road, Manchester, M13 9PL (UK)","institution_ids":["https://openalex.org/I28407311"]}]}],"institutions":[],"countries_distinct_count":2,"institutions_distinct_count":3,"corresponding_author_ids":["https://openalex.org/A5006756114"],"corresponding_institution_ids":["https://openalex.org/I28407311"],"apc_list":{"value":5790,"currency":"USD","value_usd":5790},"apc_paid":null,"fwci":1.8776,"has_fulltext":false,"cited_by_count":33,"citation_normalized_percentile":{"value":0.82468581,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":88,"max":99},"biblio":{"volume":"123","issue":"42","first_page":"10090","last_page":"10092"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10798","display_name":"Crystallography and molecular interactions","score":0.9883000254631042,"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"}},"topics":[{"id":"https://openalex.org/T10798","display_name":"Crystallography and molecular interactions","score":0.9883000254631042,"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/T10464","display_name":"Crystal structures of chemical compounds","score":0.004600000102072954,"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/T12039","display_name":"Electron and X-Ray Spectroscopy Techniques","score":0.001500000013038516,"subfield":{"id":"https://openalex.org/subfields/2508","display_name":"Surfaces, Coatings and Films"},"field":{"id":"https://openalex.org/fields/25","display_name":"Materials Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/proton-transfer","display_name":"proton transfer","score":0.8820000290870667},{"id":"https://openalex.org/keywords/hydrogen-bonding","display_name":"hydrogen bonding","score":0.9919999837875366},{"id":"https://openalex.org/keywords/organic-crystals","display_name":"organic crystals","score":0.6579999923706055},{"id":"https://openalex.org/keywords/cocrystals","display_name":"cocrystals","score":0.7630000114440918},{"id":"https://openalex.org/keywords/salt","display_name":"salt","score":0.6359999775886536},{"id":"https://openalex.org/keywords/x-ray-photoelectron-spectroscopy","display_name":"X-ray photoelectron spectroscopy","score":0.8220000267028809},{"id":"https://openalex.org/keywords/x-ray-crystallography","display_name":"X-ray crystallography","score":0.8270000219345093},{"id":"https://openalex.org/keywords/nitrogen-acceptors","display_name":"nitrogen acceptors","score":0.7269999980926514}],"concepts":[{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.8219974040985107},{"id":"https://openalex.org/C54516573","wikidata":"https://www.wikidata.org/wiki/Q2294","display_name":"Proton","level":2,"score":0.6002157926559448},{"id":"https://openalex.org/C112887158","wikidata":"https://www.wikidata.org/wiki/Q169324","display_name":"Hydrogen bond","level":3,"score":0.5896591544151306},{"id":"https://openalex.org/C8010536","wikidata":"https://www.wikidata.org/wiki/Q160398","display_name":"Crystallography","level":1,"score":0.41447293758392334},{"id":"https://openalex.org/C147789679","wikidata":"https://www.wikidata.org/wiki/Q11372","display_name":"Physical chemistry","level":1,"score":0.39293724298477173},{"id":"https://openalex.org/C32909587","wikidata":"https://www.wikidata.org/wiki/Q11369","display_name":"Molecule","level":2,"score":0.22462081909179688},{"id":"https://openalex.org/C178790620","wikidata":"https://www.wikidata.org/wiki/Q11351","display_name":"Organic chemistry","level":1,"score":0.09144425392150879},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.06531813740730286},{"id":"https://openalex.org/C62520636","wikidata":"https://www.wikidata.org/wiki/Q944","display_name":"Quantum mechanics","level":1,"score":0.0}],"mesh":[],"locations_count":2,"locations":[{"id":"doi:10.1002/ange.201103981","doi":"https://doi.org/10.1002/ange.201103981","is_oa":false,"landing_page_url":"https://doi.org/10.1002/ange.201103981","pdf_url":null,"source":{"id":"https://openalex.org/S4210200754","display_name":"Angewandte Chemie","issn_l":"0044-8249","issn":["0044-8249","0932-2140","1521-3757"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["cwts-core","norway-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":"Angewandte Chemie","raw_type":"journal-article"},{"id":"pmh:oai:pure.atira.dk:openaire_cris_publications/df460b7d-f5de-47b4-a8ea-ffc0983d6ab8","doi":null,"is_oa":false,"landing_page_url":"https://research.manchester.ac.uk/en/publications/df460b7d-f5de-47b4-a8ea-ffc0983d6ab8","pdf_url":null,"source":{"id":"https://openalex.org/S4306400662","display_name":"Research Explorer (The University of Manchester)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I28407311","host_organization_name":"University of Manchester","host_organization_lineage":["https://openalex.org/I28407311"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"Stevens, J S, Byard, S J, Seaton, C C, Sadiq, G, Davey, R J & Schroeder, S L M 2011, 'Crystallography Aided by Atomic Core-Level Binding Energies: Proton Transfer versus Hydrogen Bonding in Organic Crystal Structures', Angewandte Chemie, vol. 123, no. 42, pp. 10090-10092. https://doi.org/10.1002/ange.201103981","raw_type":"info:eu-repo/semantics/article"}],"best_oa_location":null,"sustainable_development_goals":[],"study_designs":[],"awards":[],"funders":[],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":42,"referenced_works":["https://openalex.org/W568926953","https://openalex.org/W1976500580","https://openalex.org/W1976555851","https://openalex.org/W1978873740","https://openalex.org/W1979942488","https://openalex.org/W1980996453","https://openalex.org/W1988195234","https://openalex.org/W1992287664","https://openalex.org/W1996300943","https://openalex.org/W1996488206","https://openalex.org/W2001636936","https://openalex.org/W2011134011","https://openalex.org/W2011912272","https://openalex.org/W2012290540","https://openalex.org/W2017062950","https://openalex.org/W2017472829","https://openalex.org/W2024375728","https://openalex.org/W2024423547","https://openalex.org/W2024690371","https://openalex.org/W2034554788","https://openalex.org/W2036716024","https://openalex.org/W2036822427","https://openalex.org/W2040518011","https://openalex.org/W2050751296","https://openalex.org/W2058538010","https://openalex.org/W2060900282","https://openalex.org/W2068038587","https://openalex.org/W2080899051","https://openalex.org/W2087239379","https://openalex.org/W2091959502","https://openalex.org/W2092290181","https://openalex.org/W2095429668","https://openalex.org/W2117267988","https://openalex.org/W2119658072","https://openalex.org/W2125009652","https://openalex.org/W2130055467","https://openalex.org/W2148249851","https://openalex.org/W2152779477","https://openalex.org/W2168728301","https://openalex.org/W2169731957","https://openalex.org/W2320893591","https://openalex.org/W4251762727"],"related_works":["https://openalex.org/W2557391856","https://openalex.org/W4238756078","https://openalex.org/W2031779891","https://openalex.org/W4294958883","https://openalex.org/W2967112027","https://openalex.org/W4413113637","https://openalex.org/W2054212665","https://openalex.org/W4399208536","https://openalex.org/W2087813685","https://openalex.org/W2518060736"],"abstract_inverted_index":{"Ionisch":[0],"oder":[1],"H-verbr\u00fcckt?":[2],"Der":[3],"Transfer":[4],"von":[5,21,38],"Br\u00f8nsted-Protonen":[6],"zu":[7,43],"Stickstoffakzeptoren":[8],"in":[9,40],"organischen":[10,23],"Kristallen":[11],"verursacht":[12],"starke":[13],"Verschiebungen":[14],"der":[15],"Bindungsenergien":[16],"des":[17],"N1s-Rumpfniveaus.":[18],"Eine":[19],"Untersuchung":[20],"15":[22],"Cokristall-":[24],"und":[25],"Salzsystemen":[26],"zeigt,":[27],"dass":[28],"R\u00f6ntgen-Photoelektronenspektroskopie":[29],"erg\u00e4nzend":[30],"zur":[31],"R\u00f6ntgenkristallographie":[32],"genutzt":[33],"werden":[34],"kann,":[35],"um":[36],"Protonentransfer":[37],"Wasserstoffbr\u00fccken":[39],"kondensierter":[41],"Materie":[42],"unterscheiden":[44],"(siehe":[45],"Bild).":[46]},"counts_by_year":[{"year":2023,"cited_by_count":1},{"year":2022,"cited_by_count":2},{"year":2021,"cited_by_count":6},{"year":2020,"cited_by_count":2},{"year":2018,"cited_by_count":3},{"year":2017,"cited_by_count":2},{"year":2016,"cited_by_count":1},{"year":2015,"cited_by_count":4},{"year":2014,"cited_by_count":4},{"year":2013,"cited_by_count":7},{"year":2012,"cited_by_count":1}],"updated_date":"2026-10-09T09:14:12.587421","created_date":"2022-05-12T00:00:00"}