{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,7,8]],"date-time":"2026-07-08T18:48:26Z","timestamp":1783536506076,"version":"3.55.0"},"reference-count":36,"publisher":"Royal Society of Chemistry (RSC)","issue":"31","content-domain":{"domain":["rsc.org"],"crossmark-restriction":true},"short-container-title":["Phys. Chem. Chem. Phys."],"abstract":"<p>\n                    Distinct structures were predicted for CH\n                    <sub>3<\/sub>\n                    CN\u2013BCl\n                    <sub>3<\/sub>\n                    , and IR bands for one form were observed in neon matrices. EDA analyses explain the origin of the barrier along the B\u2013N potential.\n                  <\/p>","DOI":"10.1039\/c4cp01495b","type":"journal-article","created":{"date-parts":[[2014,6,16]],"date-time":"2014-06-16T20:41:35Z","timestamp":1402951295000},"page":"16480-16491","update-policy":"https:\/\/doi.org\/10.1039\/rsc_crossmark_policy","source":"Crossref","is-referenced-by-count":32,"title":["Quantum chemical and matrix-IR characterization of CH\n                    <sub>3<\/sub>\n                    CN\u2013BCl\n                    <sub>3<\/sub>\n                    : a complex with two distinct minima along the B\u2013N bond potential"],"prefix":"10.1039","volume":"16","author":[{"given":"John P.","family":"Wrass","sequence":"first","affiliation":[{"name":"Department of Chemistry"},{"name":"University of Wisconsin Eau-Claire"},{"name":"Eau Claire, USA"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Daniel","family":"Sadowsky","sequence":"additional","affiliation":[{"name":"Department of Chemistry"},{"name":"Chemical Theory Center"},{"name":"and Supercomputing Institute"},{"name":"University of Minnesota"},{"name":"Minneapolis, USA"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Kaitlin M.","family":"Bloomgren","sequence":"additional","affiliation":[{"name":"Department of Chemistry"},{"name":"University of Wisconsin Eau-Claire"},{"name":"Eau Claire, USA"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Christopher J.","family":"Cramer","sequence":"additional","affiliation":[{"name":"Department of Chemistry"},{"name":"Chemical Theory Center"},{"name":"and Supercomputing Institute"},{"name":"University of Minnesota"},{"name":"Minneapolis, USA"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"James A.","family":"Phillips","sequence":"additional","affiliation":[{"name":"Department of Chemistry"},{"name":"University of Wisconsin Eau-Claire"},{"name":"Eau Claire, USA"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"292","published-online":{"date-parts":[[2014]]},"reference":[{"key":"C4CP01495B-(cit1)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"956","DOI":"10.1016\/j.ccr.2012.10.013","volume":"257","author":"Young","year":"2013","journal-title":"Coord. Chem. Rev."},{"key":"C4CP01495B-(cit2)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"157","DOI":"10.1021\/ar700111a","volume":"41","author":"Zhao","year":"2008","journal-title":"Acc. Chem. Res."},{"key":"C4CP01495B-(cit3)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"1518","DOI":"10.1021\/jp013261j","volume":"106","author":"Wells","year":"2002","journal-title":"J. Phys. Chem. A"},{"key":"C4CP01495B-(cit4)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"4009","DOI":"10.1021\/jp022358i","volume":"107","author":"Giesen","year":"2003","journal-title":"J. Phys. Chem. A"},{"key":"C4CP01495B-(cit5)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"8199","DOI":"10.1021\/jp052495q","volume":"109","author":"Phillips","year":"2005","journal-title":"J. Phys. Chem. A"},{"key":"C4CP01495B-(cit6)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"722","DOI":"10.1021\/ic051491x","volume":"45","author":"Phillips","year":"2006","journal-title":"Inorg. Chem."},{"key":"C4CP01495B-(cit7)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"1402","DOI":"10.1021\/jp0656375","volume":"111","author":"Eigner","year":"2007","journal-title":"J. Phys. Chem. B"},{"key":"C4CP01495B-(cit8)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"1408","DOI":"10.1021\/jp065485d","volume":"111","author":"Phillips","year":"2007","journal-title":"J. Phys. Chem. B"},{"key":"C4CP01495B-(cit9)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"11687","DOI":"10.1021\/jp405368a","volume":"117","author":"Buchberger","year":"2013","journal-title":"J. Phys. Chem. B"},{"key":"C4CP01495B-(cit10)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"57","DOI":"10.1021\/ar950115l","volume":"30","author":"Leopold","year":"1997","journal-title":"Acc. Chem. Res."},{"key":"C4CP01495B-(cit11)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"11622","DOI":"10.1021\/ja00077a081","volume":"115","author":"Burns","year":"1993","journal-title":"J. Am. Chem. Soc."},{"key":"C4CP01495B-(cit12)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"108","DOI":"10.1021\/ja00027a015","volume":"114","author":"Dvorak","year":"1992","journal-title":"J. Am. Chem. Soc."},{"key":"C4CP01495B-(cit13)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"2182","DOI":"10.1021\/ic50080a032","volume":"8","author":"Swanson","year":"1969","journal-title":"Inorg. Chem."},{"key":"C4CP01495B-(cit14)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"184","DOI":"10.1007\/s00214-004-0582-3","volume":"112","author":"Tomasi","year":"2004","journal-title":"Theor. Chem. Acc."},{"key":"C4CP01495B-(cit15)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"1955","DOI":"10.1021\/jp106391c","volume":"115","author":"Smith","year":"2011","journal-title":"J. Phys. Chem. A"},{"key":"C4CP01495B-(cit16)\/*[position()=1]","volume-title":"Advanced Inorganic Chemistry","author":"Cotton","year":"1988","unstructured":"F. A. Cotton   and  G.Wilkinson ,  Advanced Inorganic Chemistry ,  Wiley Interscience ,  New York , 5th edn,  1988"},{"key":"C4CP01495B-(cit17)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"2622","DOI":"10.1021\/ic00064a008","volume":"32","author":"Brinck","year":"1993","journal-title":"Inorg. Chem."},{"key":"C4CP01495B-(cit18)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"4659","DOI":"10.1021\/ic990713m","volume":"38","author":"Rowsell","year":"1999","journal-title":"Inorg. Chem."},{"key":"C4CP01495B-(cit19)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"7990","DOI":"10.1021\/ic034141o","volume":"42","author":"Bessac","year":"2003","journal-title":"Inorg. Chem."},{"key":"C4CP01495B-(cit20)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"8741","DOI":"10.1021\/ja00098a037","volume":"116","author":"Jonas","year":"1994","journal-title":"J. Am. Chem. Soc."},{"key":"C4CP01495B-(cit21)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"185","DOI":"10.1016\/S0166-1280(99)00183-9","volume":"496","author":"Cho","year":"2000","journal-title":"THEOCHEM"},{"key":"C4CP01495B-(cit22)\/*[position()=1]","volume-title":"Essentials of Computational Chemistry","author":"Cramer","year":"2004","unstructured":"C. J. Cramer  ,  Essentials of Computational Chemistry ,  John Wiley and Sons ,  Chichester, U.K. , 2nd edn,  2004"},{"key":"C4CP01495B-(cit25)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"827","DOI":"10.1021\/ct0501248","volume":"1","author":"Phillips","year":"2005","journal-title":"J. Chem. Theory Comput."},{"key":"C4CP01495B-(cit26)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"1","DOI":"10.1016\/0022-2860(82)90129-6","volume":"95","author":"Bertran","year":"1982","journal-title":"J. Mol. Struct."},{"key":"C4CP01495B-(cit27)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"1236","DOI":"10.1063\/1.1676210","volume":"55","author":"Morokuma","year":"1971","journal-title":"J. Chem. Phys."},{"key":"C4CP01495B-(cit28)\/*[position()=1]","unstructured":"ADF2008, SCM, Theoretical Chemistry, Vrije Universiteit, Amsterdam, The Netherlands,  http:\/\/www.scm.com , SCM Inc., 2008"},{"key":"C4CP01495B-(cit29)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"5806","DOI":"10.1021\/jp8111556","volume":"113","author":"Mantina","year":"2009","journal-title":"J. Phys. Chem. A"},{"key":"C4CP01495B-(cit30)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"2832","DOI":"10.1039\/b801115j","author":"Cordero","year":"2008","journal-title":"Dalton Trans."},{"key":"C4CP01495B-(cit31)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"1354","DOI":"10.1021\/ic50101a008","volume":"10","author":"Shriver","year":"1971","journal-title":"Inorg. Chem."},{"key":"C4CP01495B-(cit32)\/*[position()=1]","volume-title":"Molecular Spectra And Molecular Structure: Infrared and Raman Spectra of Polyatmoic Molecules","author":"Herzberg","year":"1989","unstructured":"G. Herzberg  ,  Molecular Spectra And Molecular Structure: Infrared and Raman Spectra of Polyatmoic Molecules ,  Krieger Publishing ,  Boca Raton, FL ,  1989"},{"key":"C4CP01495B-(cit33)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"533","DOI":"10.1016\/0584-8539(88)80042-4","volume":"44","author":"McKean","year":"1988","journal-title":"Spectrochim. Acta, Part A"},{"key":"C4CP01495B-(cit34)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"505","DOI":"10.1063\/1.438126","volume":"71","author":"Maillard","year":"1979","journal-title":"J. Chem. Phys."},{"key":"C4CP01495B-(cit35)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"1407","DOI":"10.1039\/f29858101407","volume":"81","author":"Schriver","year":"1985","journal-title":"J. Chem. Soc., Faraday Trans. 2"},{"key":"C4CP01495B-(cit36)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"1","DOI":"10.1002\/9780470125922.ch1","volume":"15","author":"Bickelhaupt","year":"2000","journal-title":"Rev. Comput. Chem."},{"key":"C4CP01495B-(cit37)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"55","DOI":"10.1016\/S0010-8545(02)00285-0","volume":"238","author":"Frenking","year":"2003","journal-title":"Coord. Chem. Rev."},{"key":"C4CP01495B-(cit38)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"14194","DOI":"10.1021\/es404033y","volume":"47","author":"Sadowsky","year":"2013","journal-title":"Environ. Sci. Technol."}],"container-title":["Phys. Chem. Chem. Phys."],"original-title":[],"language":"en","link":[{"URL":"http:\/\/pubs.rsc.org\/en\/content\/articlepdf\/2014\/CP\/C4CP01495B","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2026,7,8]],"date-time":"2026-07-08T17:32:37Z","timestamp":1783531957000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.rsc.org\/cp\/article\/16\/31\/16480-16491\/432083"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2014]]},"references-count":36,"journal-issue":{"issue":"31","published-print":{"date-parts":[[2014]]}},"URL":"https:\/\/doi.org\/10.1039\/c4cp01495b","relation":{},"ISSN":["1463-9076","1463-9084"],"issn-type":[{"value":"1463-9076","type":"print"},{"value":"1463-9084","type":"electronic"}],"subject":[],"published":{"date-parts":[[2014]]},"assertion":[{"value":"This document is CrossCheck deposited","name":"crosscheck","explanation":{"URL":"http:\/\/www.crossref.org\/crosscheck\/index.html"},"group":{"name":"crosscheck","label":"CROSSCHECK"}},{"value":"Supplementary Information","URL":"http:\/\/dx.doi.org\/10.1039\/C4CP01495B","name":"related_data","group":{"name":"related_data","label":"RELATED DATA"}},{"value":"The PCCP Owner Societies have an exclusive publication licence for this journal","name":"copyright_licence","group":{"name":"copyright_licensing","label":"COPYRIGHT AND LICENSING"}},{"value":"The accepted version of this article will be made freely available after a 12 month embargo period","name":"copyright_licence","label":"OPEN ACCESS","group":{"name":"copyright_licensing","label":"COPYRIGHT AND LICENSING"}},{"value":"Received 6 April 2014; Accepted 16 June 2014;  Accepted Manuscript published 16 June 2014;  Advance Article published 2 July 2014;  Version of Record published 16 July 2014","order":1,"name":"history","group":{"name":"publication_history","label":"PUBLICATION HISTORY"}}]}}