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Use of Raman spectroscopy as an In Situ Tool to Obtain Kinetic Data for Organic Transformations
Author(s) -
Schmink Jason R.,
Holcomb Jennifer L.,
Leadbeater Nicholas E.
Publication year - 2008
Publication title -
chemistry – a european journal
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.687
H-Index - 242
eISSN - 1521-3765
pISSN - 0947-6539
DOI - 10.1002/chem.200801158
Subject(s) - kinetic energy , raman spectroscopy , arrhenius equation , in situ , spectroscopy , activation energy , catalysis , salicylaldehyde , materials science , chemistry , thermodynamics , organic chemistry , polymer chemistry , physics , schiff base , quantum mechanics , optics
Raman spectroscopy has been used as an in situ tool to obtain kinetic data for an organic transformation. The model reaction studied was the synthesis of 3‐acetylcoumarin from the condensation between salicylaldehyde and ethyl acetoacetate with piperidine as a catalyst. The study shows that precise kinetic data can be obtained quickly and reproducibly, allowing for the facile determination of both overall reaction order and reaction order with respect to each component of the reaction. Additionally, Arrhenius parameters such as activation energy for a reaction can be readily obtained. In conjunction with computational modeling, this data‐rich analysis technique also allows for in‐depth probing of mechanistic aspects of reactions. Microwave heating proves to be an ideal tool for aiding in kinetic studies. It offers reproducible noncontact heating as well as precise temperature monitoring and data recording.