Dublin Core The Dublin Core metadata element set is common to all Omeka records, including items, files, and collections. For more information see, http://dublincore.org/documents/dces/. Title A name given to the resource Articles Article Faculty Publications -Articles Dublin Core The Dublin Core metadata element set is common to all Omeka records, including items, files, and collections. For more information see, http://dublincore.org/documents/dces/. Title A name given to the resource Synthesis and photophysical properties of a novel phthalimide derivative using solvatochromic shift method for the estimation of ground and singlet excited state dipole moments Subject The topic of the resource Dipole moment; Isoindole; Phthalimide; Solvatochromic; Solvent polarity correlation method; TD-DFT Description An account of the resource A novel phthalimide derivative, 2-{4-[(1H-1,2,4-triazol-1-yl)methyl]phenyl}-1Hisoindole-1,3(2H)-dione (TMPID) containing an isoindole moiety was synthesized by the cyclisation of 2-({4-[(1H-1,2,4-triazol-1-yl)methyl]phenyl}carbamoyl)benzoic acid (TMPCB). The absorbance and fluorescence spectra of the derivative were recorded in fifteen different solvents to investigate their solvatochromic behaviour and dipole moments. Different solvent correlation methods, like the BilotKawski, LippertMataga, Bakhshiev, KawskiChammaViallet and Reichardt methods were employed to estimate the singlet excited and ground state dipole moments. Using multiple regression analysis, solute-solvent, specific and non-specific interactions were analyzed by means of Kamlet-Abboud-Taft and Catalan parameters. Computational studies were performed using time dependent density functional theory (TD-DFT) in order to calculate ground state dipole moment, atomic charges and frontier molecular orbital energies in solvent phase. Experimental and computational studies indicate that the singlet excited state dipole moment of TMPID is greater than the ground state dipole moment. The chemical stability of the derivative was determined by means of chemical hardness (?) using HOMOLUMO energies. From TD-DFT computational analysis, reactive centres in the molecule were evaluated based on molecular electrostatic potential (MESP) 3D plots. 2016 Elsevier B.V. Creator An entity primarily responsible for making the resource Akshaya K.B.; Varghese A.; Lobo P.L.; Kumari R.; George L. Source A related resource from which the described resource is derived Journal of Molecular Liquids, Vol-224, pp. 247-254. Publisher An entity responsible for making the resource available Elsevier B.V. Date A point or period of time associated with an event in the lifecycle of the resource 2016-01-01 Identifier An unambiguous reference to the resource within a given context <a href="https://doi.org/10.1016/j.molliq.2016.09.115" target="_blank" rel="noreferrer noopener">https://doi.org/10.1016/j.molliq.2016.09.115</a> <br /><br /><a href="https://www.scopus.com/inward/record.uri?eid=2-s2.0-84990196895&amp;doi=10.1016%2Fj.molliq.2016.09.115&amp;partnerID=40&amp;md5=e5db060308eac554862e41c57d59c895" target="_blank" rel="noreferrer noopener">https://www.scopus.com/inward/record.uri?eid=2-s2.0-84990196895&amp;doi=10.1016%2fj.molliq.2016.09.115&amp;partnerID=40&amp;md5=e5db060308eac554862e41c57d59c895</a> Rights Information about rights held in and over the resource Restricted Access Relation A related resource ISSN: 1677322; CODEN: JMLID Format The file format, physical medium, or dimensions of the resource Online Language A language of the resource English Type The nature or genre of the resource Article Coverage The spatial or temporal topic of the resource, the spatial applicability of the resource, or the jurisdiction under which the resource is relevant Akshaya K.B., Department of Chemistry, Christ University, Hosur Road, Bengaluru, 560029, India; Varghese A., Department of Chemistry, Christ University, Hosur Road, Bengaluru, 560029, India; Lobo P.L., Department of Chemistry, Maharani's Science College for Women, Bengaluru, 560002, India; Kumari R., Department of Chemistry, Christ University, Hosur Road, Bengaluru, 560029, India; George L., Department of Chemistry, Christ University, Hosur Road, Bengaluru, 560029, India