@article {47453, title = {Reply to {\textquotedblleft}comment on {\textquoteleft}arresting an unusual amide tautomer using divalent cations{\textquoteright}{\textquotedblright}}, journal = {Journal of Physical Chemistry B}, volume = {125}, year = {2020}, month = {DEC}, pages = {479{\textendash}483}, type = {Article}, abstract = {

In our publication, we assigned the blue-shifted shoulder of\ N-methylacetamide (NMA) in the infrared (IR) spectrum (\~{}1645 cm{\textendash}1) to an iminolate tautomer stabilized in the presence of divalent metal cations (e.g., 5 M Ca2+).(1)\ Cremer and co-workers comment that this shoulder arises from the dehydration of the amide oxygen upon interaction with the metal cations.(2,3)\ Their assignment is based on three interesting experimental observations: (1) the IR spectrum of\ 15N-isotope-labeled NMA does not show any considerable red-shift compared to that of NMA; (2) a new peak appears for NMA at 1680 cm{\textendash}1\ in the presence of 1 M DCl, which shows a 17 cm{\textendash}1\ red-shift for\ 15N-labeled NMA; and (3) the IR spectrum of acetone C=O stretch also demonstrates a blue-shifted shoulder in the presence of a high concentration of CaCl2.

}, issn = {1520-6106}, doi = {10.1021/acs.jpcb.0c06005}, author = {Kashid, Somnath M. and Singh, Reman K. and Kwon, Hyejin and Seol, Jin Gyu and Kim, Yung Sam and Mukherjee, Arnab and Bagchi, Sayan} }