N-Arylated bisferrocene pyrazoles for the dual-mode detection of H2O2 by AIE-active fluorescence and non-enzymatic electrochemical methods.

Prabu S

Department of Information Security

School of Computer Science and Engineering

Vellore Campus

Palanisami N

Department of Chemistry

School of Advanced Sciences

David E

Viswanathan T

Vellore Institute of Technology (VIT) is a private university located in&nbsp;Tamil Nadu, India. Founded in 1984, as Vellore Engineering College, the institution offers 20 undergraduate, 34 postgraduate, four integrated and four research programs. It has campuses in Vellore, Amravati, Bhopal and Chennai.

VIT is one of the top ranked private universities in India according to NIRF, THE and QS Rankings.&nbsp;Govt. of India has recognized&nbsp;VIT, Vellore as an&nbsp;Institution of Eminence. This has allowed VIT to take independent quality initiatives and move up in world ranking.

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VIT University

New Journal of Chemistry

The donor-π-acceptor ferrocene conjugated malononitrile dimer [C5H5–Fe–C5H4–C(H)[dbnd]C(CN)–C(NH2) = C(CN)2] (1) has been synthesized and characterized with the aid of analytical and spectroscopic techniques [FT-IR, GC-Mass, 1H and 13C NMR]. The thermal stability of the compound 1 was investigated using thermogravimetric analysis (TGA) and differential thermal analysis (DTA), exhibit the compound is stable up to 180 °C. The photophysical properties were performed by UV–visible and fluorescence spectroscopic methods and the compound 1 exhibited weak fluorescence emission. In addition, the optical band gap (Eg) was calculated using diffused reflectance spectroscopic technique which shows the band gap value of Eg = 3.6 eV. The redox wave of the compound 1 was determined by cyclic voltammetry, revealed that one electron transfer ability of the ferrocene to ferrocenium ion. The experimentally observed HOMO and LUMO values are good agreement with the theoretical calculation by DFT-M06 method using 6–31 + G** as basis set. The solvatochromic studies of compound 1 shows negative solvatochromism due to the high ground state polarizability in presence of cyano acceptors. Further, the nonlinear optical properties were investigated by Q-switched Nd-YAG laser and second harmonic generation efficiency (SHG) using para-nitroaniline (p-NA) as a standard and the results of SHG efficiency is 0.35 times comparable with p-NA. © 2019 Elsevier B.V.

Journal of Molecular Structure

Ferrocene conjugated donor-π-acceptor malononitrile dimer: Synthesis, theoretical calculations, electrochemical, optical and nonlinear optical studies

A series of new N-arylated ferrocenepyrazole structures, carrying different donor or acceptor substituents in the para position of the aryl ring, has been synthesized by the Chan–Lam cross-coupling reaction. The nonplanar geometric molecular structure of some of these chromophores together with their crystal packing was determined by X-ray diffraction, and the HOMO and LUMO energy levels were evaluated by electrochemical and optical measurements and by density functional theoretical (DFT) calculations. By the investigation of solvent effects and time-dependent DFT (TD-DFT) calculations, the intense electronic absorption band around 270–310 nm was confirmed to be an internal-charge-transfer (ICT) band, showing a significant red shift by increasing the electron withdrawing properties of the substituent on the para position of the aryl ring. TD-DFT calculations and electric field induced second harmonic generation (EFISH) measurements of the quadratic hyperpolarizability have shown that also the second-order nonlinear optical (NLO) response of these new ICT chromophores can be tuned by changing the nature of the substituent. Both theoretical μβ and β and experimental EFISH μβ1907 and β1907 values are significant, with a quite satisfactory correlation of the general trend of theoretical μβ and EFISH μβ1907 values. The highest value of EFISH μβ1907 (410 × 10–48 esu) was measured for the chromophore carrying the strong electron withdrawing NO2 group.

Fulltext

The Journal of Physical Chemistry C

New Internal-Charge-Transfer Second-Order Nonlinear Optical Chromophores Based on the Donor Ferrocenylpyrazole Moiety

A series of sterically hindered tin(iv) siloxanes (1–8) were synthesized and characterized. The single-source precursors1and3were well suited for producing tinsilicate materials and it act as a photocatalyst for degradation of methylene blue.

RSC Adv.

New sterically hindered tin(iv) siloxane precursors to tinsilicate materials: synthesis, spectral, structural and photocatalytic studies

The first example of a Y-shaped ferrocene quinoxaline derivative with high and stable SHG response in polymeric films is reported.

Dalton Transactions

Ferrocene–quinoxaline Y-shaped chromophores as fascinating second-order NLO building blocks for long lasting highly active SHG polymeric films

Chemical Engineering Journal

Design and synthesis of covalent organic frameworks towards energy and environment fields

Sensors and Actuators B: Chemical

Non-enzymatic amperometric sensor for hydrogen peroxide detection based on a ferrocene-containing cross-linked redox-active polymer

N-Arylated bisferrocene pyrazole for the dual-mode detection of hydrogen peroxide: an AIE-active fluorescent “turn ON/OFF” and electrochemical non-enzymatic sensor

Journal	Data powered by TypesetNew Journal of Chemistry
Publisher	Data powered by TypesetRoyal Society of Chemistry (RSC)
ISSN	1144-0546
Open Access	0