A Solvatochromic Model Calibrates Nitriles’ Vibrational Frequencies to Electrostatic Field

Bagchi, S.; Fried, S. D.; Boxer, S. G. J. Am. Chem. Soc. 2012, 134, 10373-10376. [DOI]


We determine semi-empirically the absolute electric field a vibrational probe experiences inside the core of a protein.