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Publicação
The temperature dependent amide i band of crystalline acetanilide
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Orientador(es)
Resumo(s)
The temperature dependent anomalous peak in the amide I band of crystalline acetanilide is thought to be due to self-trapped states. On the contrary, according to the present model, the anomalous peak comes from the fraction of ACN molecules strongly hydrogen-bonded to a neighboring ACN molecule,
and its intensity decreases because, on average, this fraction decreases as temperature increases. This model provides, for the first time, an integrated and theoretically consistent view of the temperature dependence of the full amide I band and a qualitative explanation of some of the features of nonlinear pump–probe experiments.
Descrição
Palavras-chave
Self-trapped states Temperature dependence ACN
Contexto Educativo
Citação
Cruzeiro, L.; Freedman, H.The temperature dependent amide i band of crystalline acetanilide, Physics Letters, Section A: General, Atomic and Solid State Physics, 377, 25-27, 1593-15, 2013.
Editora
Elsevier