%0 Journal Article %1 WOS:000358555700014 %A de Toledo, T A %A Pizani, P S %A da Silva, L E %A Teixeira, A M R %A Freire, P T C %C RADARWEG 29, 1043 NX AMSTERDAM, NETHERLANDS %D 2015 %I ELSEVIER %J JOURNAL OF MOLECULAR STRUCTURE %K 2-phenylenediamine; DFT N N, Salophen; Spectroscopy `-bis(salicylidene)-1 base; calculations}, studies; {Schiff %P 106-111 %R 10.1016/j.molstruc.2015.04.038 %T Spectroscopy studies on Schiff base N,N `-bis(salicylidene)-1,2-phenylenediamine by NMR, infrared, Raman and DFT calculations %V 1097 %X N,N'-bis(salicylidene)-1,2-phenylenediamine, also known as Salophen, is a Schiff base which crystallizes in monoclinic structure and space group P2(1/c), with four molecules per unit cell. It has been intensely studied in last decades because of its excellent properties with many potential applications. In the present study, the structural and vibrational properties of the Salophen were investigated combining scanning electronic microscopy (SEM), Raman, infrared, nuclear magnetic resonance (NMR) spectroscopy as experimental techniques and theoretical calculation based on density functional theory (OFT). The interpretation of the vibrational modes was carried out by means of potential energy distribution (PED). The theoretical results are in good agreement with experimental ones. (C) 2015 Elsevier B.V. All rights reserved.

@article{WOS:000358555700014, abstract = {N,N'-bis(salicylidene)-1,2-phenylenediamine, also known as Salophen, is a Schiff base which crystallizes in monoclinic structure and space group P2(1/c), with four molecules per unit cell. It has been intensely studied in last decades because of its excellent properties with many potential applications. In the present study, the structural and vibrational properties of the Salophen were investigated combining scanning electronic microscopy (SEM), Raman, infrared, nuclear magnetic resonance (NMR) spectroscopy as experimental techniques and theoretical calculation based on density functional theory (OFT). The interpretation of the vibrational modes was carried out by means of potential energy distribution (PED). The theoretical results are in good agreement with experimental ones. (C) 2015 Elsevier B.V. All rights reserved.}, added-at = {2022-05-23T20:00:14.000+0200}, address = {RADARWEG 29, 1043 NX AMSTERDAM, NETHERLANDS}, author = {de Toledo, T A and Pizani, P S and da Silva, L E and Teixeira, A M R and Freire, P T C}, biburl = {https://www.bibsonomy.org/bibtex/2803fe0d120b19115f4b0dce2aa216976/ppgfis_ufc_br}, doi = {10.1016/j.molstruc.2015.04.038}, interhash = {318bda7ea1f3ff32451ca42f2cf87ebc}, intrahash = {803fe0d120b19115f4b0dce2aa216976}, issn = {0022-2860}, journal = {JOURNAL OF MOLECULAR STRUCTURE}, keywords = {2-phenylenediamine; DFT N N, Salophen; Spectroscopy `-bis(salicylidene)-1 base; calculations}, studies; {Schiff}, pages = {106-111}, publisher = {ELSEVIER}, pubstate = {published}, timestamp = {2022-05-23T20:00:14.000+0200}, title = {Spectroscopy studies on Schiff base N,N `-bis(salicylidene)-1,2-phenylenediamine by NMR, infrared, Raman and DFT calculations}, tppubtype = {article}, volume = 1097, year = 2015 }