Abstract
The crystal structures of two ortho-hydroxyacetophenones (5-cyano-2-hydroxyacetophenone and 2-hydroxy-4-methoxy-5-nitroacetophenone) were determined by X-ray diffraction at 100 K. These experimental values are compared with quantum mechanical DFT calculations (B3LYP/6-311++G(d,p)). DFT calculations have resulted in potential energy surfaces for the ground state (GSPES). The effect of intramolecular interactions, in particular of intramolecular hydrogen bonds, on steady-state fluorescence spectra in non-polar solvents and solid state at room temperature show interesting results. Excited state intramolecular proton transfer (ESIPT) was evidenced by a large Stokes shifted fluorescence (∼11,000 cm −1). Intensive fluorescence was observed in the solid state of 5-cyano-2-hydroxyacetophenone.
Sign-in/Register to access full text options 
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
