3230-43-1Relevant articles and documents
A DFT and experimental study of the spectroscopic and hydrolytic degradation behaviour of some benzylideneanilines
Nelson, Peter N.,Robertson, Tahjna I.
, (2021/10/12)
The spectroscopic and hydrolytic degradation behaviour of some N-benzylideneanilines are investigated experimentally and theoretically via high quality density function theoretical (DFT) modelling techniques. Their absorption and vibrational spectra, accurately predicted by DFT calculations, are highly dependent on the nature of the substituents on the aromatic rings, hence, though some of their spectroscopic features are similar, energetic differences exist due to differences in their electronic structures. Whereas the o-hydroxy aniline derived adducts undergo hydrolysis via two pathways, the most energetically economical of which is initiated by a fast enthalpy driven hydration, over a conservative free energy (ΔG?) barrier of 53 kJ mol?1, prior to the rate limiting entropy controlled lysis step which occurs via a conservative barrier of ca.132 kJ mol?1, all other compounds hydrolyse via a slower two-step pathway, limited by the hydration step. Barriers heights for both pathways are controlled primarily by the structure and hence, stability of the transition states, all of which are cyclic for both pathways.
Synthesis, characterization and antioxidant activity of nickel(ii) schiff base complexes derived from 4-(dimethylamino)benzaldehyde
Nawaz, Nighat,Ahmad, Irshad,Darwesh, Nizam M.,Wahab, Amjad,Ur Rahman, Sadeeq,Sajid, Abdul,Khan, Farhan A.,Khan, Sher B.,Patching, Simon G.,Uddin, Kamal
, p. 238 - 242 (2021/01/20)
Nickel(II) complexes of the following Schiff base ligands derived from 4-(dimethylamino)benzaldehyde were synthesised: (Z)-1-(4-(dimethylamino)benzylideneamino)propan-1-ol through condensation with 1-amino-propan-1-ol, (N1E,N2E)-Nsu
Understanding difficulties of irregular number-membered ring transition states for intramolecular proton transfer in excited state
Qin, Xiaozhuan,Ding, Ge,Wang, Zhenqiang,Gong, Yulong,Gao, Fang,Zhang, Shengtao,Luo, Ziping,Li, Hongru
supporting information, p. 403 - 410 (2017/01/03)
This study presents a variety of organic dyes with similar molecular structures that could undergo intramolecular proton transfer in excited states via five-, six- and seven-number-membered ring transition states, respectively. In addition, the dyes without proton transfer segments are also synthesized to use as references. X-ray single crystal diffraction, NMR spectra as well as UV/visible spectra suggests the presence of internal hydrogen bond with different strength in the target dyes. The steady and transient fluorescence measurements demonstrate occurrence of excited state intramolecular proton transfer via a six number-membered ring transition state. In contrast, it cannot be processed through five- and seven-number-membered ring transition states of the studied dyes. The molecular geometry optimization of the studied dyes reveals fundamental factors for the difficulties of intramolecular proton transfer in excited states via five- and seven-number-membered ring transition states.
