Spectral and DFT studies of anion bound organic receptors: Time dependent studies and logic gate applications.
New colorimetric receptorsR1andR2with varied positional substitution of a cyano and nitro signaling unit having a hydroxy functionality as the hydrogen bond donor site have been designed, synthesized and characterized by FTIR,1H NMR spectroscopy and mass spectrometry. The receptorsR1andR2exhibit prominent visual response for F-and AcO-ions allowing the real time analysis of these ions in aqueous media. The formation of the receptor-anion complexes has been supported by UV-vis titration studies and confirmed through binding constant calculations. The anion binding process follows a first order rate equation and the calculated rate constants reveal a higher order of reactivity for AcO-ions. The1H NMR titration and TDDFT studies provide full support of the binding mechanism. The Hg2+and F-ion sensing property of receptorR1has been utilized to arrive at "AND" and "INHIBIT" molecular logic gate applications.
Supramolecular Chemistry Laboratory, Department of Chemistry, National Institute of Technology Karnataka (NITK), Surathkal, India.
Srikala
S
Pangannaya
Supramolecular Chemistry Laboratory, Department of Chemistry, National Institute of Technology Karnataka (NITK), Surathkal, India.
Neethu Padinchare
NP
Purayil
Department of Physics, Maharaja Krishnakumarsinhji Bhavnagar University, Bhavnagar 364001, India.
Shweta
S
Dabhi
Department of Physics, Maharaja Krishnakumarsinhji Bhavnagar University, Bhavnagar 364001, India.
Venu
V
Mankad
Department of Physics, Faculty of Science, The M.S. University of Baroda, Vadodara 390002, India.
Prafulla K
PK
Jha
School of Technology, Pandit Deendayal Petroleum University, Gandhinagar 382007, Gujarat, India.
Satyam
S
Shinde
Supramolecular Chemistry Laboratory, Department of Chemistry, National Institute of Technology Karnataka (NITK), Surathkal, India.
Darshak R
DR
Trivedi
DFT; colorimetric sensor; molecular logic gates; rate constant; substituent effect