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المؤلفAl-Ansari I.A.Z.
تاريخ الإتاحة2020-01-01T10:25:03Z
تاريخ النشر2018
اسم المنشورJournal of Physical Chemistry A
المصدرScopus
الرقم المعياري الدولي للكتاب10895639
معرّف المصادر الموحدhttp://dx.doi.org/10.1021/acs.jpca.7b11623
معرّف المصادر الموحدhttp://hdl.handle.net/10576/12467
الملخصThe present experimental and theoretical study on a new chromophore DMAMN of the type push-?-pull (push = dimethylaniline, ? = imine, pull = 2-naphthoic acid), allows understanding of the mechanism by which the molecular conformational undergoes isomerization/rotomerization following electronic excitation. The steady-state fluorescence spectra of this compound, carried out in solvents of different polarities and proticities, showed significant changes in both the shape and peak positions. The wavelength and intensity change depend on the polarity and hydrogen-bonding environment. In highly polar solvents, the emission is weak and red-shifted compared to that for cyclohexane, but it is more red-shifted in moderate aprotic polar solvents. In hydroxyl solvents, a new weak low-energy emission band appears at ?525 nm, attributed to the intermolecularly H-bonded open conformer. On the basis of the generated potential energy landscapes of the ground state and low-lying excited state in the gas phase and solution, we found that selective photon absorption, brings this molecule to a "bright" state, from which N=C isomerization Z ? E, takes place. This isomerization in gas-phase and low-polarity solvents leads to two minima with a barrier, whereas in highly polar-protic media, it gives one minimum on the S1 surface with low ?ES1/T1 (0.17 eV), facilitating deactivation via ISC. - 2018 American Chemical Society.
اللغةen
الناشرAmerican Chemical Society
العنوانRole of Solvent Polarity and Hydrogen-Bonding on Excited-State Fluorescence of 3-[(E)-{4-[Dimethylamino]benzylidene}amino]-2-naphthoic Acid (DMAMN): Isomerization vs Rotomerization
النوعArticle
الصفحات1838-1854
رقم العدد7
رقم المجلد122


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