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• W2807714500 abstract "Abstract This work deals with the controlled nucleation of aniline from the isolated molecule until formation of a moderately large aggregate: aniline nonamer. The structure of the cluster at each step of the nucleation was unravelled combining mass‐resolved IR spectroscopy and computational chemistry, demonstrating that aggregation is primarily guided by formation of extensive N−H⋅⋅⋅N hydrogen‐bond networks that give the aggregates a sort of branched backbone, in clear competition with multiple N−H/C−H⋅⋅⋅π and π⋅⋅⋅π interactions. The result is the co‐existence of close nucleation paths connecting relational aggregates. The delicate balance of molecular forces makes the aniline clusters a challenge for molecular orbital calculations and an ideal system to refine the present nucleation models. Noticeably, spectroscopic signatures characteristic of the condensed phase are apparent in the nanometer‐size aggregates formed in this work." @default.
• W2807714500 created "2018-06-21" @default.
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• W2807714500 date "2018-06-28" @default.
• W2807714500 modified "2023-10-18" @default.
• W2807714500 title "Stepwise Nucleation of Aniline: Emergence of Spectroscopic Fingerprints of the Liquid Phase" @default.
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• W2807714500 doi "https://doi.org/10.1002/chem.201802015" @default.
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