The temperature dependent amide i band of crystalline acetanilide

Cruzeiro, Leonor; Freedman, Holly

http://hdl.handle.net/10400.1/3542

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Authors

Cruzeiro, Leonor

Freedman, Holly

Abstract(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.

Keywords

Self-trapped states Temperature dependence ACN

URI

http://hdl.handle.net/10400.1/3542

Citation

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.