{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2025,7,2]],"date-time":"2025-07-02T17:55:03Z","timestamp":1751478903737},"reference-count":43,"publisher":"Springer Science and Business Media LLC","issue":"2","license":[{"start":{"date-parts":[[2014,10,5]],"date-time":"2014-10-05T00:00:00Z","timestamp":1412467200000},"content-version":"tdm","delay-in-days":0,"URL":"http:\/\/www.springer.com\/tdm"}],"content-domain":{"domain":["link.springer.com"],"crossmark-restriction":false},"short-container-title":["Struct Chem"],"published-print":{"date-parts":[[2015,4]]},"DOI":"10.1007\/s11224-014-0519-y","type":"journal-article","created":{"date-parts":[[2014,10,4]],"date-time":"2014-10-04T03:12:41Z","timestamp":1412392361000},"page":"565-571","update-policy":"http:\/\/dx.doi.org\/10.1007\/springer_crossmark_policy","source":"Crossref","is-referenced-by-count":2,"title":["Theoretical characterization of molecular complexes formed between triplet vinyl nitrene and Lewis acids"],"prefix":"10.1007","volume":"26","author":[{"given":"Dar\u00edo J. R.","family":"Duarte","sequence":"first","affiliation":[]},{"given":"Margarida S.","family":"Miranda","sequence":"additional","affiliation":[]},{"given":"Joaquim C. G. Esteves","family":"da Silva","sequence":"additional","affiliation":[]}],"member":"297","published-online":{"date-parts":[[2014,10,5]]},"reference":[{"key":"519_CR1","doi-asserted-by":"crossref","first-page":"101","DOI":"10.1039\/cs9942300101","volume":"23","author":"CA Hunter","year":"1994","unstructured":"Hunter CA (1994) Meldola Lecture. The role of aromatic interactions in molecular recognition. Chem Soc Rev 23:101\u2013109","journal-title":"Chem Soc Rev"},{"key":"519_CR2","doi-asserted-by":"crossref","first-page":"1154","DOI":"10.1002\/anie.199611541","volume":"35","author":"D Philp","year":"1996","unstructured":"Philp D, Stoddart JF (1996) Self-assembly in natural and unnatural systems. Angew Chem Int Ed Engl 35:1154\u20131196","journal-title":"Angew Chem Int Ed Engl"},{"key":"519_CR3","doi-asserted-by":"crossref","first-page":"558","DOI":"10.1002\/anie.200300606","volume":"43","author":"DM Rudkevich","year":"2004","unstructured":"Rudkevich DM (2004) Emerging supramolecular chemistry of gases. Angew Chem Int Ed 43:558\u2013571","journal-title":"Angew Chem Int Ed"},{"key":"519_CR4","doi-asserted-by":"crossref","first-page":"509","DOI":"10.1021\/ja807530m","volume":"131","author":"A Llanes-Pallas","year":"2009","unstructured":"Llanes-Pallas A, Palma C-A, Piot C, Belbakra A, Listorti A, Prato M, Samori P, Armaroli N, Bonifazi D (2009) Engineering of supramolecular H-bonded nanopolygons via self-assembly of programmed molecular modules. J Am Chem Soc 131:509\u2013520","journal-title":"J Am Chem Soc"},{"key":"519_CR5","doi-asserted-by":"crossref","first-page":"4713","DOI":"10.1007\/s00894-012-1463-7","volume":"19","author":"SJ Grabowski","year":"2013","unstructured":"Grabowski SJ (2013) Non-covalent interactions \u2013 QTAIM and NBO analysis. J Mol Model 19:4713\u20134721","journal-title":"J Mol Model"},{"key":"519_CR6","doi-asserted-by":"crossref","DOI":"10.1007\/978-3-642-85135-3","volume-title":"Hydrogen bonding in biological structures","author":"GA Jeffrey","year":"1991","unstructured":"Jeffrey GA, Saenger W (1991) Hydrogen bonding in biological structures. Springer, Berlin"},{"key":"519_CR7","volume-title":"An introduction to hydrogen bonding","author":"GA Jeffrey","year":"1997","unstructured":"Jeffrey GA (1997) An introduction to hydrogen bonding. Oxford University Press, New York"},{"key":"519_CR8","volume-title":"The weak hydrogen bond in structural chemistry and biology","author":"GR Desiraju","year":"1999","unstructured":"Desiraju GR, Steiner T (1999) The weak hydrogen bond in structural chemistry and biology. Oxford University Press, New York"},{"key":"519_CR9","doi-asserted-by":"crossref","first-page":"278","DOI":"10.1002\/cphc.201200799","volume":"14","author":"P Politzer","year":"2013","unstructured":"Politzer P, Murray JS (2013) Halogen bonding: an interim discussion. Chem Phys Chem 14:278\u2013294","journal-title":"Chem Phys Chem"},{"key":"519_CR10","doi-asserted-by":"crossref","first-page":"7736","DOI":"10.1039\/c002129f","volume":"12","author":"AC Legon","year":"2010","unstructured":"Legon AC (2010) The halogen bond: an interim perspective. Phys Chem Chem Phys 12:7736\u20137747","journal-title":"Phys Chem Chem Phys"},{"key":"519_CR11","doi-asserted-by":"crossref","first-page":"56","DOI":"10.1016\/j.comptc.2011.11.019","volume":"980","author":"Q-Z Li","year":"2012","unstructured":"Li Q-Z, Li R, Guo P, Li H, Li W-Z, Cheng J-B (2012) Competition of chalcogen bond, halogen bond, and hydrogen bond in SCS\u2013HOX and SeCSe\u2013HOX (X\u00a0=\u00a0Cl and Br) complexes. Comput Theor Chem 980:56\u201361","journal-title":"Comput Theor Chem"},{"key":"519_CR12","doi-asserted-by":"crossref","first-page":"8132","DOI":"10.1021\/jp904128b","volume":"113","author":"W Wang","year":"2009","unstructured":"Wang W, Ji B, Zhang Y (2009) Chalcogen bond: a sister noncovalent bond to halogen bond. J Phys Chem A 113:8132\u20138135","journal-title":"J Phys Chem A"},{"key":"519_CR13","doi-asserted-by":"crossref","first-page":"2763","DOI":"10.1021\/ct900364y","volume":"5","author":"M Y\u00e1\u00f1ez","year":"2009","unstructured":"Y\u00e1\u00f1ez M, Sanz P, M\u00f3 M, Alkorta I, Elguero J (2009) Beryllium bonds, do they exist? J Chem Theory Comput 5:2763\u20132771","journal-title":"J Chem Theory Comput"},{"key":"519_CR14","doi-asserted-by":"crossref","first-page":"3481","DOI":"10.1007\/s00894-012-1360-0","volume":"18","author":"K Eskandari","year":"2012","unstructured":"Eskandari K (2012) Characteristics of beryllium bonds; a QTAIM study. J Mol Model 18:3481\u20133487","journal-title":"J Mol Model"},{"key":"519_CR15","doi-asserted-by":"crossref","first-page":"2003","DOI":"10.1007\/s00894-011-1221-2","volume":"18","author":"MD Esrafili","year":"2012","unstructured":"Esrafili MD (2012) Characteristics and nature of the intermolecular interactions in boron-bonded complexes with carbene as electron donor: an ab initio, SAPT and QTAIM study. J Mol Model 18:2003\u20132011","journal-title":"J Mol Model"},{"key":"519_CR16","doi-asserted-by":"crossref","first-page":"2622","DOI":"10.1021\/ic00064a008","volume":"32","author":"T Brinck","year":"1993","unstructured":"Brinck T, Murray JS, Politzer P (1993) A computational analysis of the bonding in boron trifluoride and boron trichloride and their complexes with ammonia. Inorg Chem 32:2622\u20132625","journal-title":"Inorg Chem"},{"key":"519_CR17","doi-asserted-by":"crossref","first-page":"8359","DOI":"10.1021\/jp9020917","volume":"113","author":"JE Bene Del","year":"2009","unstructured":"Del Bene JE, Alkorta I, Elguero J (2009) Characterizing complexes with F\u2013Li+\u2013F lithium bonds: structures, binding energies, and spin\u2013spin coupling constants. J Phys Chem A 113:8359\u20138365","journal-title":"J Phys Chem A"},{"key":"519_CR18","doi-asserted-by":"crossref","first-page":"5888","DOI":"10.1021\/jp100480g","volume":"114","author":"J Tong","year":"2010","unstructured":"Tong J, Li Y, Wu D, Li Z-R, Huang X-R (2010) Lithium bonding interaction hyperpolarizabilities of various Li-bond dimers. J Phys Chem A 114:5888\u20135893","journal-title":"J Phys Chem A"},{"key":"519_CR19","doi-asserted-by":"crossref","first-page":"1598","DOI":"10.1071\/CH10259","volume":"63","author":"JS Murray","year":"2010","unstructured":"Murray JS, Riley KE, Politzer P, Clark T (2010) Directional weak intermolecular interactions: sigma-hole bonding. Aust J Chem 63:1598\u20131607","journal-title":"Aust J Chem"},{"key":"519_CR20","doi-asserted-by":"crossref","first-page":"291","DOI":"10.1007\/s00894-006-0130-2","volume":"13","author":"T Clark","year":"2007","unstructured":"Clark T, Hennemann M, Murray JS, Politzer P (2007) Halogen bonding: the \u03c3-hole. J Mol Model 13:291\u2013296","journal-title":"J Mol Model"},{"key":"519_CR21","volume-title":"Azides and nitrene-reactivity and utility","year":"1984","unstructured":"Scriven EFV (ed) (1984) Azides and nitrene-reactivity and utility. Academic Press, New York"},{"key":"519_CR22","volume-title":"Nitrenes","year":"1970","unstructured":"Lwowski W (ed) (1970) Nitrenes. Wiley, New York"},{"key":"519_CR23","volume-title":"The chemistry of the azido group","year":"1971","unstructured":"Patai S (ed) (1971) The chemistry of the azido group. Wiley, New York"},{"key":"519_CR24","volume-title":"Computational methods in photochemistry","year":"2005","unstructured":"Gritsan NP, Platz MS, Borden WT, Kutateladze AG (eds) (2005) Computational methods in photochemistry. Taylor & Francis, Boca Raton"},{"key":"519_CR25","volume-title":"Reactive intermediate chemistry","year":"2004","unstructured":"Moss RA, Platz MS, Jones M (eds) (2004) Reactive intermediate chemistry. Wiley-Interscience, Hoboken"},{"key":"519_CR26","doi-asserted-by":"crossref","first-page":"5038","DOI":"10.1021\/jp500140j","volume":"118","author":"DRJ Duarte","year":"2014","unstructured":"Duarte DRJ, Miranda MS, da Silva EJC (2014) Computational study on the vinyl azide decomposition. J Phys Chem A 118:5038\u20135045","journal-title":"J Phys Chem A"},{"key":"519_CR27","doi-asserted-by":"crossref","first-page":"12129","DOI":"10.1021\/jp064432t","volume":"110","author":"RM Romano","year":"2006","unstructured":"Romano RM, Picone AL, Downs AJ (2006) Matrix-isolated van der Waals complexes formed between CS2 and dihalogen molecules XY, where XY\u00a0=\u00a0Cl2, Br 2, BrCl, ICl, or IBr. J Phys Chem A 110:12129\u201312135","journal-title":"J Phys Chem A"},{"key":"519_CR28","doi-asserted-by":"crossref","first-page":"187","DOI":"10.1016\/j.molstruc.2010.01.037","volume":"978","author":"AL Picone","year":"2010","unstructured":"Picone AL, Romano RM (2010) Infrared matrix-isolation studies of the CS2\u00b7\u00b7\u00b7HCl molecular complex. J Mol Struct 978:187\u2013190","journal-title":"J Mol Struct"},{"key":"519_CR29","doi-asserted-by":"crossref","first-page":"11687","DOI":"10.1021\/jp405368a","volume":"117","author":"AR Buchberger","year":"2013","unstructured":"Buchberger AR, Danforth SJ, Bloomgren KM, Rohde JA, Smith EL, Gardener CCA, Phillips JA (2013) Condensed-phase effects on the structural properties of FCH2CN\u00b7\u00b7\u00b7BF3 and ClCH2CN\u00b7\u00b7\u00b7BF3: a matrix-isolation and computational study. J Phys Chem B 117:11687\u201311696","journal-title":"J Phys Chem B"},{"key":"519_CR30","doi-asserted-by":"crossref","first-page":"618","DOI":"10.1103\/PhysRev.46.618","volume":"46","author":"C M\u00f8ller","year":"1934","unstructured":"M\u00f8ller C, Plesset MS (1934) Note on an approximation treatment for many-electron systems. Phys Rev 46:618\u2013622","journal-title":"Phys Rev"},{"key":"519_CR31","doi-asserted-by":"crossref","first-page":"479","DOI":"10.1016\/S0009-2614(89)87395-6","volume":"157","author":"K Raghavachari","year":"1989","unstructured":"Raghavachari K, Trucks GW, Pople JA, Head-Gordon M (1989) A fifth-order perturbation comparison of electron correlation theories. Chem Phys Lett 157:479\u2013483","journal-title":"Chem Phys Lett"},{"key":"519_CR32","doi-asserted-by":"crossref","first-page":"553","DOI":"10.1080\/00268977000101561","volume":"19","author":"SF Boys","year":"1970","unstructured":"Boys SF, Bernardi F (1970) The calculation of small molecular interactions by the differences of separate total energies. Some procedures with reduced errors. Mol Phys 19:553\u2013566","journal-title":"Mol Phys"},{"key":"519_CR33","unstructured":"AIMAll (Version 11.12.19), Todd A. Keith, TK (2011) Gristmill Software, Overland Park KS, USA, (aim.tkgristmill.com)"},{"key":"519_CR34","unstructured":"Frisch MJ, Trucks GW, Schlegel HB, Scuseria GE, Robb MA, Cheeseman JR, Montgomery Jr. JA, Vreven T, Kudin KN, Burant JC, Millam JM, Iyengar SS, Tomasi J, Barone V, Mennucci B, Cossi M, Scalmani G, Rega N, Petersson GA, Nakatsuji H, Hada M, Ehara M, Toyota K, Fukuda R, Hasegawa J, Ishida M, Nakajima T, Honda Y, Kitao O, Nakai H, Klene M, Li X, Knox JE, Hratchian HP, Cross JB, Bakken V, Adamo C, Jaramillo J, Gomperts R, Stratmann RE, Yazyev O, Austin AJ, Cammi R, Pomelli C, Ochterski JW, Ayala PY, Morokuma K, Voth GA, Salvador P, Dannenberg JJ, Zakrzewski VG, Dapprich S, Daniels AD, Strain MC, Farkas O, Malick DK, Rabuck AD, Raghavachari K, Foresman JB, Ortiz JV, Cui Q, Baboul AG, Clifford S, Cioslowski J, Stefanov BB, Liu G, Liashenko A, Piskorz P, Komaromi I, Martin RL, Fox DJ, Keith T, Al-Laham MA, Peng CY, Nanayakkara A, Challacombe M, Gill PMW, Johnson B, Chen W, Wong MW, Gonzalez C, Pople JA, (2004) Gaussian 03, Revision C.02. Gaussian, Inc, Wallingford CT"},{"key":"519_CR35","doi-asserted-by":"crossref","first-page":"2035","DOI":"10.1007\/s00894-012-1624-8","volume":"19","author":"DJR Duarte","year":"2013","unstructured":"Duarte DJR, Sosa GL, Peruchena NM (2013) Nature of halogen bonding. A study based on the topological analysis of the Laplacian of the electron charge density and an energy decomposition analysis. J Mol Model 19:2035\u20132041","journal-title":"J Mol Model"},{"key":"519_CR36","doi-asserted-by":"crossref","first-page":"164","DOI":"10.1016\/j.comptc.2012.07.019","volume":"998","author":"DJR Duarte","year":"2012","unstructured":"Duarte DJR, Angelina EL, Peruchena NM (2012) On the strength of the halogen bonds: mutual penetration, atomic quadrupole moment and Laplacian distribution of the charge density analyses. Comput Theor Chem 998:164\u2013172","journal-title":"Comput Theor Chem"},{"key":"519_CR37","doi-asserted-by":"crossref","first-page":"10856","DOI":"10.1021\/jp806101t","volume":"112","author":"I Alkorta","year":"2008","unstructured":"Alkorta I, Blanco F, Solimannejad M, Elguero J (2008) Competition of hydrogen bonds and halogen bonds in complexes of hypohalous acids with nitrogenated bases. J Phys Chem A 112:10856\u201310863","journal-title":"J Phys Chem A"},{"key":"519_CR38","doi-asserted-by":"crossref","unstructured":"Alkorta I, Elguero J (1998) Non-conventional hydrogen bonds. Chem Soc Rev 27:163\u2013170 (and references cited therein)","DOI":"10.1039\/a827163z"},{"key":"519_CR39","doi-asserted-by":"crossref","first-page":"1799","DOI":"10.1021\/jp036769q","volume":"108","author":"W Wang","year":"2004","unstructured":"Wang W, Wong N-B, Zheng W, Tiang A (2004) Theoretical study on the blue shifting halogen bond. J Phys Chem A 108:1799\u20131805","journal-title":"J Phys Chem A"},{"key":"519_CR40","doi-asserted-by":"crossref","first-page":"7314","DOI":"10.1021\/jp981794v","volume":"102","author":"RFW Bader","year":"1998","unstructured":"Bader RFW (1998) A bond path: a universal indicator of bonded interactions. J Phys Chem A 102:7314\u20137323","journal-title":"J Phys Chem A"},{"key":"519_CR41","doi-asserted-by":"crossref","first-page":"5069","DOI":"10.1021\/ja00353a036","volume":"105","author":"D Cremer","year":"1983","unstructured":"Cremer D, Kraka E, Slee TS, Bader RFW, Lau CDH, Nguyen-Dang TT, MacDougall PJ (1983) Description of homoaromaticity in terms of electron distributions. J Am Chem Soc 105:5069\u20135075","journal-title":"J Am Chem Soc"},{"key":"519_CR42","doi-asserted-by":"crossref","first-page":"1943","DOI":"10.1063\/1.446956","volume":"80","author":"RFW Bader","year":"1984","unstructured":"Bader RFW, Ess\u00e9n H (1984) The characterization of atomic interactions. J Chem Phys 80:1943\u20131960","journal-title":"J Chem Phys"},{"key":"519_CR43","volume-title":"Atoms in molecules: an introduction","year":"2000","unstructured":"Popelier P (ed) (2000) Atoms in molecules: an introduction. Prentice-Hall, Harlow"}],"container-title":["Structural Chemistry"],"original-title":[],"language":"en","link":[{"URL":"http:\/\/link.springer.com\/content\/pdf\/10.1007\/s11224-014-0519-y.pdf","content-type":"application\/pdf","content-version":"vor","intended-application":"text-mining"},{"URL":"http:\/\/link.springer.com\/article\/10.1007\/s11224-014-0519-y\/fulltext.html","content-type":"text\/html","content-version":"vor","intended-application":"text-mining"},{"URL":"http:\/\/link.springer.com\/content\/pdf\/10.1007\/s11224-014-0519-y","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2019,8,15]],"date-time":"2019-08-15T17:17:41Z","timestamp":1565889461000},"score":1,"resource":{"primary":{"URL":"http:\/\/link.springer.com\/10.1007\/s11224-014-0519-y"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2014,10,5]]},"references-count":43,"journal-issue":{"issue":"2","published-print":{"date-parts":[[2015,4]]}},"alternative-id":["519"],"URL":"https:\/\/doi.org\/10.1007\/s11224-014-0519-y","relation":{},"ISSN":["1040-0400","1572-9001"],"issn-type":[{"value":"1040-0400","type":"print"},{"value":"1572-9001","type":"electronic"}],"subject":[],"published":{"date-parts":[[2014,10,5]]}}}