@article{
 title = {Crystal structure and theoretical studies of the keto-enol isomerism of N,N′-bis(salicylidene)-o-phenylenediamine (salophen)},
 type = {article},
 year = {2012},
 keywords = {DFT,Salicylaldehyde,Salophen,Tautomerism,o-Phenylenediamine},
 pages = {110-115},
 volume = {99},
 websites = {http://dx.doi.org/10.1016/j.saa.2012.09.002},
 publisher = {Elsevier B.V.},
 id = {af4799c8-50e6-312d-8f98-4a687929bf4d},
 created = {2018-07-28T23:28:37.386Z},
 file_attached = {false},
 profile_id = {6d4e9e22-09e3-3340-83ee-25b0de1090e1},
 group_id = {edb17a89-a16c-3c5d-8f2a-ce318aa08fb4},
 last_modified = {2018-07-28T23:28:37.386Z},
 read = {false},
 starred = {false},
 authored = {false},
 confirmed = {true},
 hidden = {false},
 citation_key = {Mota2012},
 source_type = {article},
 private_publication = {false},
 abstract = {The Schiff base N,N′-bis(salicylidene)-o-phenylenediamine (salophen) was prepared by the condensation of salicylaldehyde with o-phenylenediamine in ethanol solution. The compound was characterized by elemental analysis, infrared (IR), 1H, 13C and 1H15N HMBC nuclear magnetic resonance (NMR) spectroscopic measurements, and also by X-ray diffraction. The tautomerism of salophen was also studied by calculations using density functional theory (DFT). Two of the three tautomers were shown to coexist. A comparison of the DFT data of the three tautomers has shown that the most stable one is salophen 1, which is in accordance with experimental X-ray crystallographic data. ©2012 Published by Elsevier B.V.},
 bibtype = {article},
 author = {Mota, Vinicius Z and De Carvalho, Gustavo S G and Corbi, Pedro P and Bergamini, Fernando R G and Formiga, André L B and Diniz, Renata and Freitas, Maria C R and Da Silva, Adilson D and Cuin, Alexandre},
 doi = {10.1016/j.saa.2012.09.002},
 journal = {Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy}
}

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