The author of 《Tuning Molecular Vibrational Energy Flow within an Aromatic Scaffold via Anharmonic Coupling》 were Schmitz, Andrew J.; Pandey, Hari Datt; Chalyavi, Farzaneh; Shi, Tianjiao; Fenlon, Edward E.; Brewer, Scott H.; Leitner, David M.; Tucker, Matthew J.. And the article was published in Journal of Physical Chemistry A in 2019. Application of 17201-43-3 The author mentioned the following in the article:
From guiding chem. reactivity in synthesis or protein folding to the design of energy diodes, intramol. vibrational energy redistribution harnesses the power to influence the underlying fundamental principles of chem. To evaluate the ability to steer these processes, the mechanism and timescales of intramol. vibrational energy redistribution through aromatic mol. scaffolds have been assessed by utilizing two-dimensional IR (2D IR) spectroscopy. 2D IR cross peaks reveal energy relaxation through an aromatic scaffold from the azido- to the cyano- vibrational reporters in p-azidobenzonitrile (PAB) and p-(azidomethyl)benzonitrile (PAMB) prior to energy relaxation into the solvent. The rates of energy transfer are modulated by Fermi resonances, which are apparent by the coupling cross peaks identified within the 2D IR spectrum. Theor. vibrational mode anal. allowed de-termination of the origins of the energy flow, the transfer pathway, and a direct comparison of the associated transfer rates, which were in good agreement with the exptl. results. Large variations in energy transfer rates, approx. 1.9 ps for PAB and 23 ps for PAMB, illustrate the importance of strong anharmonic coupling, i.e. Fermi resonance, on the transfer pathways. In particular, vibrational energy rectification is altered by Fermi resonances of the cyano- and azido- modes allowing control of the propensity for energy flow. After reading the article, we found that the author used 4-Cyanobenzyl bromide(cas: 17201-43-3Application of 17201-43-3)
4-Cyanobenzyl bromide(cas: 17201-43-3) is an important intermediate for pharmaceutical production. It can be used for the synthesis of a series of piperidine-linked aromatic diimidazolines, which have been synthesized as conformationally restricted congeners of the anti-Pneumocystis carinii (PCP) drug, Pentamidine.Application of 17201-43-3
Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts