{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,10,1]],"date-time":"2026-10-01T12:02:57Z","timestamp":1790856177414,"version":"4.1.0"},"reference-count":0,"publisher":"International Union of Crystallography (IUCr)","issue":"5","license":[{"start":{"date-parts":[[2006,9,18]],"date-time":"2006-09-18T00:00:00Z","timestamp":1158537600000},"content-version":"vor","delay-in-days":0,"URL":"http:\/\/creativecommons.org\/licenses\/by\/2.0\/uk\/legalcode"},{"start":{"date-parts":[[2006,9,18]],"date-time":"2006-09-18T00:00:00Z","timestamp":1158537600000},"content-version":"tdm","delay-in-days":0,"URL":"http:\/\/creativecommons.org\/licenses\/by\/2.0\/uk\/legalcode"}],"content-domain":{"domain":["iucr.org","wiley.com","iucrj.org"],"crossmark-restriction":true},"short-container-title":["Acta Crystallogr B Struct Sci","Acta Cryst B","Acta Cryst Sect B","Acta Crystallogr B","Acta Crystallogr Sect B","Acta Crystallogr Sect B Struct Sci"],"accepted":{"date-parts":[[2006,7,11]]},"published-print":{"date-parts":[[2006,10,1]]},"abstract":"<jats:p>The structural response of three members of the family of polycyclic aromatic hydrocarbons (PAHs) to high-pressure recrystallization from dichloromethane solutions is presented. Recrystallization of naphthalene in the 0.2\u20130.6\u2005GPa pressure range does not result in the formation of a new polymorph. Furthermore, direct compression of a single crystal to 2.1\u2005GPa does not result in a phase transition. A density decrease of 18.2% over the 0.0\u20132.1\u2005GPa pressure range is observed and the principal effect of pressure is to `tighten' the herringbone structural motif and decrease the size of void regions. A new polymorph of pyrene, form III, has been crystallized at 0.3 and at 0.5\u2005GPa. Structural investigation of this new polymorph by means of topological analysis and comparison of Hirshfeld surfaces and fingerprint plots shows that intermolecular interactions are substantially different from those found in the ambient-pressure structures, and do not fit a previously established packing model for PAHs. Similar discrepancies are found for the high-pressure polymorph of phenanthrene, which is here re-investigated in greater detail. The structures of these high-pressure polymorphs are dominated by \u03c0...\u03c0 stacking with a limited contribution from C\u2014H...\u03c0 (peripheral) interactions. It is perhaps not surprising that high-pressure polymorphs deviate from a model that has been devised for ambient-pressure structures, and this may be a direct consequence of the ability of pressure to modify and combine intermolecular interactions in ways that are not usually found at ambient pressure. This is achieved by modifying the relative orientations of molecules and by encouraging the formation of denser structures in which molecules pack together more efficiently.<\/jats:p>","DOI":"10.1107\/s0108768106026814","type":"journal-article","created":{"date-parts":[[2006,9,19]],"date-time":"2006-09-19T09:35:29Z","timestamp":1158658529000},"page":"826-842","update-policy":"https:\/\/doi.org\/10.1107\/cm_01","source":"Crossref","is-referenced-by-count":111,"title":["Exploration of the high-pressure behaviour of polycyclic aromatic hydrocarbons: naphthalene, phenanthrene and pyrene"],"prefix":"10.1107","volume":"62","author":[{"given":"Francesca P. A.","family":"Fabbiani","sequence":"first","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"David R.","family":"Allan","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Simon","family":"Parsons","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Colin R.","family":"Pulham","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"329","published-online":{"date-parts":[[2006,9,18]]},"container-title":["Acta Crystallographica Section B Structural Science"],"original-title":[],"link":[{"URL":"http:\/\/journals.iucr.org\/b\/issues\/2006\/05\/00\/bs5035\/bs5035.pdf","content-type":"unspecified","content-version":"vor","intended-application":"text-mining"},{"URL":"http:\/\/journals.iucr.org\/b\/issues\/2006\/05\/00\/bs5035\/bs5035.pdf","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2025,1,11]],"date-time":"2025-01-11T14:23:12Z","timestamp":1736605392000},"score":1,"resource":{"primary":{"URL":"https:\/\/journals.iucr.org\/paper?S0108768106026814"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2006,9,18]]},"references-count":0,"journal-issue":{"issue":"5","published-print":{"date-parts":[[2006,10]]}},"alternative-id":["S0108768106026814"],"URL":"https:\/\/doi.org\/10.1107\/s0108768106026814","relation":{"is-supplemented-by":[{"id-type":"doi","id":"10.1107\/S0108768106026814\/bs5035sup1.cif","asserted-by":"subject"},{"id-type":"doi","id":"10.1107\/S0108768106026814\/bs5035sup2.pdf","asserted-by":"subject"},{"id-type":"doi","id":"10.1107\/S0108768106026814\/bs5035naphthalene_0.4_GPasup3.hkl","asserted-by":"subject"},{"id-type":"doi","id":"10.1107\/S0108768106026814\/bs5035naphthalene_0.6_GPasup4.hkl","asserted-by":"subject"},{"id-type":"doi","id":"10.1107\/S0108768106026814\/bs5035naphthalene_1.0_GPasup5.hkl","asserted-by":"subject"},{"id-type":"doi","id":"10.1107\/S0108768106026814\/bs5035naphthalene_2.1_GPasup6.hkl","asserted-by":"subject"},{"id-type":"doi","id":"10.1107\/S0108768106026814\/bs5035pyrene_form_III_0.3_GPasup7.hkl","asserted-by":"subject"},{"id-type":"doi","id":"10.1107\/S0108768106026814\/bs5035pyrene_form_III_0.5_GPasup8.hkl","asserted-by":"subject"}]},"ISSN":["0108-7681"],"issn-type":[{"value":"0108-7681","type":"print"}],"subject":[],"published":{"date-parts":[[2006,9,18]]},"assertion":[{"value":"Acta Crystallographica Section B: Structural Science","order":0,"name":"journal","label":"Publication","explanation":{"URL":"http:\/\/journals.iucr.org\/b"},"group":{"name":"general","label":"General"}},{"value":"research papers","order":1,"name":"content_type","label":"Content type","explanation":{"URL":"https:\/\/journals.iucr.org\/b\/services\/notesforauthors.html"},"group":{"name":"general","label":"General"}},{"value":"Available","URL":"http:\/\/scripts.iucr.org\/cgi-bin\/citedin?bs5035","order":2,"name":"article_metrics","label":"Article metrics","group":{"name":"general","label":"General"}},{"value":"Yes","order":0,"name":"peer_reviewed","label":"Peer reviewed","group":{"name":"peer_review","label":"Peer review"}},{"value":"Single blind","order":1,"name":"review_process","label":"Review process","group":{"name":"peer_review","label":"Peer review"}},{"value":"30 April 2006","order":0,"name":"received","label":"Received","group":{"name":"publication_history","label":"Publication history"}},{"value":"11 July 2006","order":1,"name":"accepted","label":"Accepted","group":{"name":"publication_history","label":"Publication history"}},{"value":"18 September 2006","order":2,"name":"published_online","label":"Published online","group":{"name":"publication_history","label":"Publication history"}},{"value":"This article has supporting information","name":"supplementary_materials","label":"Supplementary materials","explanation":{"URL":"http:\/\/scripts.iucr.org\/cgi-bin\/sendsup?bs5035"}},{"value":"\u00a9 2006 International Union of Crystallography","order":0,"name":"copyright","label":"Copyright","explanation":{"URL":"http:\/\/journals.iucr.org\/services\/copyrightpolicy.html"},"group":{"name":"copyright_and_licensing","label":"Copyright and licencing"}}]}}