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The electronic properties in chloroform, acetonitrile, methanol, and water were determined by carrying out sequential Monte Carlo simulations and quantum mechanics calculations based on the time dependent density functional theory and on the second-order M\u00f8ller\u2013Plesset perturbation theory method. The results illustrate the role played by electrostatic interactions in the electronic properties of anil derivatives in a liquid environment. There is a significant increase of the dipole moment in solution (20%-100%) relative to the gas-phase value. Solvent effects are mild for the absorption spectrum and linear polarizability but they can be particularly important for first hyperpolarizability. A large first hyperpolarizability contrast between the enol and keto forms is observed when absorption spectra present intense lowest-energy absorption bands. Dynamic results for the first hyperpolarizability are in qualitative agreement with the available experimental results.<\/jats:p>","DOI":"10.1063\/1.4954064","type":"journal-article","created":{"date-parts":[[2016,6,22]],"date-time":"2016-06-22T14:20:25Z","timestamp":1466605225000},"update-policy":"https:\/\/doi.org\/10.1063\/aip-crossmark-policy-page","source":"Crossref","is-referenced-by-count":13,"title":["Solvent effects on the absorption spectrum and first hyperpolarizability of keto-enol tautomeric forms of anil derivatives: A Monte Carlo\/quantum mechanics study"],"prefix":"10.1063","volume":"144","author":[{"given":"L.","family":"Adriano Junior","sequence":"first","affiliation":[{"name":"Universidade Federal de Goi\u00e1s Instituto de F\u00edsica, , CEP 74.690-900, Goi\u00e2nia, GO, Brazil"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"T. 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