{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,3,21]],"date-time":"2026-03-21T09:36:11Z","timestamp":1774085771453,"version":"3.50.1"},"reference-count":59,"publisher":"American Chemical Society (ACS)","issue":"34","content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J. Phys. Chem. A"],"published-print":{"date-parts":[[2006,8,1]]},"DOI":"10.1021\/jp062250t","type":"journal-article","created":{"date-parts":[[2006,8,10]],"date-time":"2006-08-10T10:00:23Z","timestamp":1155204023000},"page":"10287-10295","source":"Crossref","is-referenced-by-count":22,"title":["Thermosolvatochromism of Betaine Dyes Revisited:\u2009 Theoretical Calculations of the Concentrations of Alcohol\u2212Water Hydrogen-bonded Species and Application to Solvation in Aqueous Alcohols"],"prefix":"10.1021","volume":"110","author":[{"given":"Erick L.","family":"Bastos","sequence":"first","affiliation":[{"name":"Instituto de Qu\u00edmica, Universidade de S\u00e3o Paulo, C.P. 26077, 05513-970 S\u00e3o Paulo, S.P., Brazil"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Priscilla L.","family":"Silva","sequence":"additional","affiliation":[{"name":"Instituto de Qu\u00edmica, Universidade de S\u00e3o Paulo, C.P. 26077, 05513-970 S\u00e3o Paulo, S.P., Brazil"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Omar A.","family":"El Seoud","sequence":"additional","affiliation":[{"name":"Instituto de Qu\u00edmica, Universidade de S\u00e3o Paulo, C.P. 26077, 05513-970 S\u00e3o Paulo, S.P., Brazil"}],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"316","published-online":{"date-parts":[[2006,8,10]]},"reference":[{"key":"jp062250tb00001\/jp062250tb00001_1","unstructured":"Reichardt, C.Solvents and Solvent Effects in Organic Chemistry, 3rd ed.; Wiley-VCH:\u2009 Weinheim, Germany, 2003; pp 147 and 389 and references therein."},{"key":"jp062250tb00002\/jp062250tb00002_1","doi-asserted-by":"crossref","first-page":"1903","DOI":"10.1351\/pac200476101903","volume":"76","author":"Reichardt C.","year":"2004","journal-title":"Pure Appl. Chem."},{"key":"jp062250tb00003\/jp062250tb00003_1","doi-asserted-by":"crossref","first-page":"691","DOI":"10.1002\/poc.632","volume":"16","author":"Tada E. B.","year":"2003","journal-title":"J. Phys. Org. Chem."},{"key":"jp062250tb00004\/jp062250tb00004_1","doi-asserted-by":"crossref","first-page":"5378","DOI":"10.1039\/B308550C","volume":"5","author":"Tada E. B.","year":"2003","journal-title":"Phys. Chem. Chem. Phys."},{"key":"jp062250tb00005\/jp062250tb00005_1","doi-asserted-by":"crossref","first-page":"398","DOI":"10.1002\/poc.887","volume":"18","author":"Tada E. B.","year":"2005","journal-title":"J. Phys. Org. Chem."},{"key":"jp062250tb00006\/jp062250tb00006_1","doi-asserted-by":"crossref","first-page":"67","DOI":"10.1016\/S0021-9673(01)83371-9","volume":"352","author":"Katz E. D.","year":"1986","journal-title":"J. Chromatogr."},{"key":"jp062250tb00007\/jp062250tb00007_1","doi-asserted-by":"crossref","first-page":"349","DOI":"10.1021\/ac00179a013","volume":"61","author":"Katz E. D.","year":"1989","journal-title":"Anal. Chem."},{"key":"jp062250tb00008\/jp062250tb00008_1","doi-asserted-by":"crossref","first-page":"1543","DOI":"10.1039\/b002381g","volume":"125","author":"Scott R. P. W.","year":"2000","journal-title":"Analyst"},{"key":"jp062250tb00009\/jp062250tb00009_1","doi-asserted-by":"crossref","DOI":"10.1002\/9781118625590","volume-title":"Applied Regression Analysis","author":"Draper N. R.","year":"1998","edition":"3"},{"key":"jp062250tb00010\/jp062250tb00010_1","doi-asserted-by":"crossref","first-page":"9645","DOI":"10.1021\/la034996d","volume":"19","author":"Shimizu S.","year":"2003","journal-title":"Langmuir"},{"key":"jp062250tb00011\/jp062250tb00011_1","unstructured":"Tada, E. B. Solvatochromism in solvents and in micellar systems. Ph.D. Thesis, University of S\u00e3o Paulo, S\u00e3o Paulo, Brazil, 2004."},{"key":"jp062250tb00012\/jp062250tb00012_1","doi-asserted-by":"crossref","first-page":"323","DOI":"10.1021\/je60018a014","volume":"8","author":"Mikhail S. Z.","year":"1963","journal-title":"J. Chem. Eng. Data"},{"key":"jp062250tb00013\/jp062250tb00013_1","doi-asserted-by":"crossref","unstructured":"Lee, C.; Yang, W.; Parr, R. G.Phys. Rev. B:\u2009 Condens. Matter Mater.Phys.1988,37, 785.","DOI":"10.1103\/PhysRevB.37.785"},{"key":"jp062250tb00014\/jp062250tb00014_1","doi-asserted-by":"crossref","first-page":"5648","DOI":"10.1063\/1.464913","volume":"98","author":"Becke A. D.","year":"1993","journal-title":"J. Chem. Phys."},{"key":"jp062250tb00015\/jp062250tb00015_1","doi-asserted-by":"crossref","first-page":"3032","DOI":"10.1063\/1.474659","volume":"107","author":"Canc\u00e8s M. T.","year":"1997","journal-title":"J. Chem. Phys."},{"key":"jp062250tb00016\/jp062250tb00016_1","doi-asserted-by":"crossref","first-page":"211","DOI":"10.1016\/S0166-1280(98)00553-3","volume":"464","author":"Tomasi J.","year":"1999","journal-title":"J. Mol. Struct."},{"key":"jp062250tb00017\/jp062250tb00017_1","doi-asserted-by":"crossref","first-page":"369","DOI":"10.1002\/aic.690480220","volume":"48","author":"Eckert F.","year":"2002","journal-title":"AIChE J."},{"key":"jp062250tb00018\/jp062250tb00018_1","volume-title":"Gaussian 03, revision C.02","author":"Frisch M. J.","year":"2004"},{"key":"jp062250tb00019\/jp062250tb00019_1","unstructured":"Thompson, M. A. 4.0.1 ed.; Planaria Software LLC:\u2009 Seattle, WA, 2005."},{"key":"jp062250tb00020\/jp062250tb00020_1","doi-asserted-by":"crossref","first-page":"403","DOI":"10.1002\/poc.510","volume":"15","author":"Antonious M. S.","year":"2002","journal-title":"J. Phys. Org. Chem."},{"key":"jp062250tb00021\/jp062250tb00021_1","doi-asserted-by":"crossref","first-page":"1607","DOI":"10.1039\/P29950001607","author":"Ros\u00e9s M.","year":"1995","journal-title":"J. Chem. Soc., Perkin Trans. 2"},{"key":"jp062250tb00022\/jp062250tb00022_1","doi-asserted-by":"crossref","first-page":"403","DOI":"10.1002\/(SICI)1099-1395(199606)9:6<403::AID-POC799>3.0.CO;2-D","volume":"9","author":"Bosch E.","year":"1996","journal-title":"J. Phys. Org. Chem."},{"key":"jp062250tb00023\/jp062250tb00023_1","doi-asserted-by":"crossref","first-page":"1497","DOI":"10.1039\/P29960001497","author":"Ortega J.","year":"1996","journal-title":"J. Chem. Soc., Perkin Trans. 2"},{"key":"jp062250tb00024\/jp062250tb00024_1","doi-asserted-by":"crossref","first-page":"2177","DOI":"10.1039\/P29960002177","author":"Bosch E.","year":"1996","journal-title":"J. Chem. Soc., Perkin Trans. 2"},{"key":"jp062250tb00025\/jp062250tb00025_1","doi-asserted-by":"crossref","first-page":"243","DOI":"10.1039\/a605421h","author":"R\u00e0fols C.","year":"1997","journal-title":"J. Chem. Soc., Perkin Trans. 2"},{"key":"jp062250tb00026\/jp062250tb00026_1","doi-asserted-by":"crossref","first-page":"185","DOI":"10.1002\/(SICI)1099-1395(199803)11:3<185::AID-POC993>3.0.CO;2-5","volume":"11","author":"Buhvestov U.","year":"1998","journal-title":"J. Phys. Org. Chem."},{"key":"jp062250tb00027\/jp062250tb00027_1","doi-asserted-by":"crossref","first-page":"629","DOI":"10.1007\/BF00645894","volume":"9","author":"Roux G.","year":"1980","journal-title":"J. Solution Chem."},{"key":"jp062250tb00028\/jp062250tb00028_1","doi-asserted-by":"crossref","first-page":"11134","DOI":"10.1021\/j100144a039","volume":"97","author":"Zana R.","year":"1993","journal-title":"J. Phys. Chem."},{"key":"jp062250tb00029\/jp062250tb00029_1","doi-asserted-by":"crossref","first-page":"2089","DOI":"10.1039\/a802516i","volume":"94","author":"Sacco A.","year":"1998","journal-title":"J. Chem. Soc., Faraday Trans."},{"key":"jp062250tb00030\/jp062250tb00030_1","doi-asserted-by":"crossref","first-page":"6508","DOI":"10.1021\/jp990659v","volume":"103","author":"Harris K. R.","year":"1999","journal-title":"J. Phys. Chem. A"},{"key":"jp062250tb00031\/jp062250tb00031_1","doi-asserted-by":"crossref","first-page":"7420","DOI":"10.1021\/jp001393r","volume":"104","author":"Petong P.","year":"2000","journal-title":"J. Phys. Chem. A"},{"key":"jp062250tb00032\/jp062250tb00032_1","doi-asserted-by":"crossref","first-page":"6559","DOI":"10.1021\/j100354a054","volume":"93","author":"Nishikawa K.","year":"1989","journal-title":"J. Phys. Chem."},{"key":"jp062250tb00033\/jp062250tb00033_1","doi-asserted-by":"crossref","first-page":"105","DOI":"10.1016\/S0167-7322(99)00168-3","volume":"85","author":"Huelsekopf M.","year":"2000","journal-title":"J. Mol. Liq."},{"key":"jp062250tb00034\/jp062250tb00034_1","doi-asserted-by":"crossref","first-page":"1387","DOI":"10.1007\/s007060170023","volume":"132","author":"Marcus Y.","year":"2001","journal-title":"Monatsh. Chem."},{"key":"jp062250tb00035\/jp062250tb00035_1","doi-asserted-by":"crossref","first-page":"429","DOI":"10.1039\/ft9949000429","volume":"90","author":"Chen J.-S.","year":"1994","journal-title":"J. Chem. Soc., Faraday Trans."},{"key":"jp062250tb00036\/jp062250tb00036_1","doi-asserted-by":"crossref","first-page":"5533","DOI":"10.1021\/jp952596w","volume":"100","author":"Eblinger F.","year":"1996","journal-title":"J. Phys. Chem."},{"key":"jp062250tb00037\/jp062250tb00037_1","doi-asserted-by":"crossref","first-page":"113","DOI":"10.1139\/v01-198","volume":"80","author":"Max J. J.","year":"2002","journal-title":"Can. J. Chem."},{"key":"jp062250tb00038\/jp062250tb00038_1","doi-asserted-by":"crossref","first-page":"395","DOI":"10.1007\/BF00649038","volume":"11","author":"Coetzee J. F.","year":"1982","journal-title":"J. Solution Chem."},{"key":"jp062250tb00039\/jp062250tb00039_1","doi-asserted-by":"crossref","first-page":"3782","DOI":"10.1021\/jp980708o","volume":"102","author":"Rablen P. R.","year":"1998","journal-title":"J. Phys. Chem. A"},{"key":"jp062250tb00040\/jp062250tb00040_1","doi-asserted-by":"crossref","first-page":"3782","DOI":"10.1063\/1.474736","volume":"107","author":"Stockman P. A.","year":"1997","journal-title":"J. Chem. Phys."},{"key":"jp062250tb00041\/jp062250tb00041_1","volume-title":"Transition States of Biochemical Processes","author":"Schowen R. L.","year":"1978"},{"key":"jp062250tb00042\/jp062250tb00042_1","volume-title":"Modern Physical Organic Chemsitry","author":"Anslyn E. V.","year":"2004"},{"key":"jp062250tb00043\/jp062250tb00043_1","doi-asserted-by":"crossref","first-page":"7308","DOI":"10.1063\/1.1607918","volume":"119","author":"Wensink E. J. W.","year":"2003","journal-title":"J. Chem. Phys."},{"key":"jp062250tb00044\/jp062250tb00044_1","doi-asserted-by":"crossref","first-page":"2999","DOI":"10.1021\/cr9904009","volume":"105","author":"Tomasi J.","year":"2005","journal-title":"Chem. Rev."},{"key":"jp062250tb00045\/jp062250tb00045_1","doi-asserted-by":"crossref","first-page":"626","DOI":"10.1021\/ed079p626","volume":"79","author":"Lunelli B.","year":"2002","journal-title":"J. Chem. Educ."},{"key":"jp062250tb00046\/jp062250tb00046_1","doi-asserted-by":"crossref","first-page":"850","DOI":"10.1252\/jcej.37.850","volume":"37","author":"Mori H.","year":"2004","journal-title":"J. Chem. Eng. Jpn."},{"key":"jp062250tb00047\/jp062250tb00047_1","doi-asserted-by":"crossref","first-page":"757","DOI":"10.1016\/S0021-9614(73)80017-5","volume":"5","author":"Kusano K.","year":"1973","journal-title":"J. Chem. Thermodyn."},{"key":"jp062250tb00048\/jp062250tb00048_1","doi-asserted-by":"crossref","first-page":"105","DOI":"10.1016\/S0040-6031(98)00374-8","volume":"317","author":"Davis M. I.","year":"1998","journal-title":"Thermochim. Acta"},{"key":"jp062250tb00049\/jp062250tb00049_1","doi-asserted-by":"crossref","first-page":"1319","DOI":"10.1006\/jcht.1998.0401","volume":"30","author":"Tamura K.","year":"1998","journal-title":"J. Chem. Thermodyn."},{"key":"jp062250tb00050\/jp062250tb00050_1","doi-asserted-by":"crossref","first-page":"6017","DOI":"10.1021\/j100193a068","volume":"96","author":"Kaatze U.","year":"1992","journal-title":"J. Phys. Chem."},{"key":"jp062250tb00051\/jp062250tb00051_1","doi-asserted-by":"crossref","first-page":"8946","DOI":"10.1021\/j100201a046","volume":"96","author":"Brai M.","year":"1992","journal-title":"J. Phys. Chem."},{"key":"jp062250tb00052\/jp062250tb00052_1","doi-asserted-by":"crossref","first-page":"585","DOI":"10.1002\/bbpc.19910950508","volume":"95","author":"Kaatze U.","year":"1991","journal-title":"Ber. Bunsen-Ges. Phys. Chem."},{"key":"jp062250tb00053\/jp062250tb00053_1","doi-asserted-by":"crossref","first-page":"3097","DOI":"10.1039\/f19868203097","volume":"82","author":"Dawber J. G.","year":"1986","journal-title":"J. Chem. Soc., Faraday Trans."},{"key":"jp062250tb00054\/jp062250tb00054_1","first-page":"75","volume":"20","author":"Barlin G. B.","year":"1966","journal-title":"Rev."},{"key":"jp062250tb00055\/jp062250tb00055_1","doi-asserted-by":"crossref","first-page":"978","DOI":"10.1039\/F29736900978","volume":"69","author":"Kingston B.","year":"1973","journal-title":"J. Chem. Soc., Faraday Trans."},{"key":"jp062250tb00056\/jp062250tb00056_1","doi-asserted-by":"crossref","first-page":"1121","DOI":"10.1351\/pac198658081121","volume":"58","author":"Symons M. C. R.","year":"1986","journal-title":"Pure Appl. Chem."},{"key":"jp062250tb00057\/jp062250tb00057_1","doi-asserted-by":"crossref","first-page":"307","DOI":"10.1002\/recl.19861050913","volume":"105","author":"Haak J. R.","year":"1986","journal-title":"Recl. Trav. Chim. Pays-Bas"},{"key":"jp062250tb00058\/jp062250tb00058_1","doi-asserted-by":"crossref","first-page":"2496","DOI":"10.1021\/jp983387p","volume":"103","author":"Shulgin I.","year":"1999","journal-title":"J. Phys. Chem. B"},{"key":"jp062250tb00059\/jp062250tb00059_1","doi-asserted-by":"crossref","first-page":"872","DOI":"10.1021\/jp983690q","volume":"103","author":"Shulgin I.","year":"1999","journal-title":"J. Phys. Chem. B"}],"container-title":["The Journal of Physical Chemistry A"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/jp062250t","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2023,5,8]],"date-time":"2023-05-08T13:31:43Z","timestamp":1683552703000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/doi\/10.1021\/jp062250t"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2006,8,1]]},"references-count":59,"journal-issue":{"issue":"34","published-print":{"date-parts":[[2006,8,1]]}},"alternative-id":["10.1021\/jp062250t"],"URL":"https:\/\/doi.org\/10.1021\/jp062250t","relation":{},"ISSN":["1089-5639","1520-5215"],"issn-type":[{"value":"1089-5639","type":"print"},{"value":"1520-5215","type":"electronic"}],"subject":[],"published":{"date-parts":[[2006,8,1]]}}}