{"doi":"10.1007/128_2014_568","title":"σ-Hole Bonding: A Physical Interpretation","abstract":null,"journal":"Topics in Current Chemistry","year":2014,"id":685316,"datarank":0.7603356303330349,"base_score":5.0689042022202315,"endowment":5.0689042022202315,"self_citation_contribution":0.7603356303330349,"citation_network_contribution":0.0,"self_endowment_contribution":0.7603356303330349,"citer_contribution":0.0,"corpus_percentile":null,"corpus_rank":null,"citation_count":158,"citer_count":0,"citers_with_citation_signal":0,"citers_with_endowment":0,"datacite_reuse_total":0,"is_dataset":false,"is_dataset_confidence":null,"is_data_producer":false,"deposit_databanks":null,"is_oa":false,"file_count":0,"downloads":0,"has_version_chain":false,"published_date":null,"fair_score":null,"fair_percentile":null,"algorithm_id":"datarank_citation_only_1hop_v6","ranking_scope":"data_only","authors":[{"id":205794,"name":"Jane S. Murray","orcid":null,"position":1,"is_corresponding":false},{"id":1338967,"name":"Timothy Clark","orcid":"0000-0002-1562-7661","position":2,"is_corresponding":false},{"id":205793,"name":"Peter Politzer","orcid":null,"position":0,"is_corresponding":false}],"reference_count":0,"raw_metadata":{"has_enrichment":true,"resolved":true,"title":"σ-Hole Bonding: A Physical Interpretation","abstract":"The anisotropic electronic densities of covalently-bonded Group IV-VII atoms frequently give rise to regions of positive electrostatic potential on the extensions of covalent bonds to these atoms. Through such positive \"σ-holes,\" the atoms can interact attractively and highly directionally with negative sites such as the lone pairs of Lewis bases, anions, π electrons, etc. In the case of Group VII this is called \"halogen bonding.\" Hydrogen bonding can be viewed as a less directional subset of σ-hole interactions. Since positive σ-holes often exist in conjunction with regions of negative potential, the atoms can also interact favorably with positive sites. In accordance with the Hellmann-Feynman theorem, all of these interactions are purely Coulombic in nature (which encompasses polarization and dispersion). The strength of σ-hole bonding increases with the magnitudes of the potentials of the positive σ-hole and the negative site; their polarizabilities must sometimes also be taken explicitly into account.","is_dataset_classified":null,"base_score":5.0689042022202315,"endowment":5.0689042022202315,"datacite_reuse_total":0,"file_count":0,"downloads":0,"views":0,"has_version_chain":false,"is_dataset":false,"is_oa":false,"pmid":"25467532","pmcid":null,"openalex_id":"https://openalex.org/W1041901","authors":[],"funders":[],"total_grants":0,"fwci":140.4387,"citation_percentile":0.99923313,"influential_citations":0,"citation_trend":[{"year":2015,"count":18},{"year":2016,"count":21},{"year":2017,"count":26},{"year":2018,"count":18},{"year":2019,"count":16},{"year":2020,"count":13},{"year":2021,"count":12},{"year":2022,"count":12},{"year":2023,"count":9},{"year":2024,"count":1},{"year":2025,"count":8},{"year":2026,"count":4}],"oa_status":"closed","license":"https://www.springernature.com/gp/researchers/text-and-data-mining","oa_locations":[{"url":"https://link.springer.com/content/pdf/10.1007/128_2014_568","host_type":"publisher"},{"url":"https://doi.org/10.1007/128_2014_568","host_type":"book series"},{"url":"https://pubmed.ncbi.nlm.nih.gov/25467532","host_type":"repository"}],"fields_of_study":["Crystallography and molecular interactions","Solid-state spectroscopy and crystallography","Crystal Structures and Properties"],"mesh_terms":[],"keywords":["Chemistry","Lone pair","Hydrogen bond","Covalent bond","Chemical physics","Electron","Group (periodic table)","Halogen","Halogen bond","Crystallography","Atomic physics","Computational chemistry","Molecule","Quantum mechanics","Physics","Organic chemistry"],"sdg_mappings":[],"linked_datasets":[],"clinical_trials":[],"software_tools":[],"database_accessions":[],"source":"live","citation_network_status":"fetched"},"created_at":"2026-08-18T16:18:16.243159Z","pmid":null,"pmcid":null,"fwci":null,"citation_percentile":null,"influential_citations":0,"oa_status":null,"license":null,"views":0,"total_file_size_bytes":0,"version_count":0,"fair_f":null,"fair_a":null,"fair_i":null,"fair_r":null,"fair_zscore":null,"fair_rationale":null,"fair_model":null,"fair_agent_version":null,"fair_fulltext_source":null,"fair_has_llm":null,"fair_computed_at":null,"clinical_trials":[],"software_tools":[],"db_accessions":[],"linked_datasets":[],"topics":[]}