Anionic merocyanine dyes based on thiazol-2-hydrazides: reverse solvatochromism, preferential solvation and multiparametric approaches to spectral shifts
Literature Information
Arindam Mukhopadhyay, Krishna J. Mandal, Jarugu Narasimha Moorthy
Anionic merocyanine colored dyes based on (4-nitro/cyanophenyl)-substituted thiazol-2-hydrazides (THAs), which are donor–π–acceptor type push–pull molecular systems and characterized with a strong intramolecular charge transfer (ICT) in the ground state, have been examined as reverse solvatochromic systems. THAs are shown to exhibit both positive and negative solvatochromism with a reversal of the latter occurring for solvents of ET(30) value of ca. 45. The observed behavior is traceable to relative contributions of benzenoid and quinonoid resonance forms of the THAs and their stabilization by solvents to different degrees. Solvatochromic studies in binary mixtures of polar aprotic and protic solvents reveal that the latter are always preferred in the solvation microsphere of THAs. Multiparametric treatment of the ET(dye) parameters by Catalán and Kamlet–Taft linear solvation energy relationships (LSERs) compellingly bears out the remarkable influence of hydrogen-bond donating (HBD) acidity, dipolarity and polarizability of the media on the spectral properties of the anionic dyes; hydrogen-bond accepting (HBA) basicity of the solvents is found to influence the least.
Related Literature
Water binding to FeIII hemes studied in a cooled ion trap: characterization of a strong ‘weak’ ligand
Mohammad Aarabi, Satchin Soorkia, Gilles Grégoire, Aurélien de la Lande, Benoît Soep, Reza Omidyan, Niloufar Shafizadeh
DOI: 10.1039/C9CP03608C
Nitrogen doping in coexposed (001)–(101) anatase TiO2 surfaces: a DFT study
Giovanni Di Liberto, Sergio Tosoni, Gianfranco Pacchioni
DOI: 10.1039/C9CP03930A
The infrared spectra of protic ionic liquids: performances of different computational models to predict hydrogen bonds and conformer evolution
O. Palumbo, A. Cimini, J.-B. Brubach, P. Roy, A. Paolone
DOI: 10.1039/D0CP00907E
Comparison study of carbon clusters formation during thermal decomposition of 1,3,5-triamino-2,4,6-trinitrobenzene and benzotrifuroxan: a ReaxFF based sequential molecular dynamics simulation
Xuefeng Zhao, Xinping Long, Xiaogan Dai, Kaili Zhang, Ming Li, Feng Guo, Zhiqiang Qiao, Yushi Wen
DOI: 10.1039/C9CP05734J
Correction: Thermo-orientation in fluids of arbitrarily shaped particles
Andrea Gardin, Alberta Ferrarini
DOI: 10.1039/D0CP90053B
Large scale quantum dynamics investigations on the sensing mechanism of H2O, acetone, NO2 and O3 adsorption on the (MA)2Pb(SCN)2I2 surface
Shijie Zhou, Lei Tong, Yinjie Liao, Juxia Yi, Yao Qi
DOI: 10.1039/C9CP02703C
Using computed infrared intensities for the reduction of vibrational configuration interaction bases
Vincent Le Bris, Marc Odunlami, Didier Bégué, Isabelle Baraille, Olivier Coulaud
DOI: 10.1039/D0CP00593B
Pyridine–acetaldehyde, a molecular balance to explore the n→π* interaction
Susana Blanco, Alberto Macario, Juan Carlos López
DOI: 10.1039/C9CP04088A
You might also like
Is 6-(3-Fluorophenyl)picolinic acid (CAS: 887982-40-3) safe?
6-(3-Fluorophenyl)picolinic acid is generally considered safe for laboratory use...
What industries use (3R)-3-Pyrrolidinol (CAS: 2799-21-5)?
(3R)-3-Pyrrolidinol is used in the pharmaceutical industry as a precursor for dr...
What precautions should be taken when handling (4R,5R)-4,5-Diethoxycarbonyl-2,2-dimethyldioxolane (CAS: 59779-75-8)?
When handling (4R,5R)-4,5-Diethoxycarbonyl-2,2-dimethyldioxolane (CAS: 59779-75-...
How is 1-(6-Chloroimidazo[1,2-b]pyridazin-3-yl)ethanone (CAS: 90734-71-7) typically synthesized?
1-(6-Chloroimidazo[1,2-b]pyridazin-3-yl)ethanone is often synthesized via a mult...
What is the market or research trend for N-Ethyl-3,4-dimethylbenzylamine (CAS: 39180-83-1)?
The market for N-Ethyl-3,4-dimethylbenzylamine (CAS: 39180-83-1) remains steady,...
What is Tert-butyl 3-(pyrrolidin-1-yl)azetidine-1-carboxylate (CAS: 1019008-21-9)?
Tert-butyl 3-(pyrrolidin-1-yl)azetidine-1-carboxylate is a chemical compound wit...
What regulatory guidelines apply to 1-Bromo-3-chloro-2,4-dimethoxybenzene (CAS: 1228956-93-1)?
1-Bromo-3-chloro-2,4-dimethoxybenzene (CAS: 1228956-93-1) falls under the classi...
Is 8-Bromo-2-methyl-3,4-dihydroisoquinolin-1(2H)-one (CAS: 1368622-07-4) safe?
The safety of 8-Bromo-2-methyl-3,4-dihydroisoquinolin-1(2H)-one (CAS: 1368622-07...
Is Benzyl [(3S)-2,6-dioxo-3-piperidinyl]carbamate (CAS: 22785-43-9) safe?
Benzyl [(3S)-2,6-dioxo-3-piperidinyl]carbamate is generally safe when handled wi...
How should 1-{[4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]sulfonyl}pyrrolidine (CAS: 928657-21-0) be stored?
1-{[4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]sulfonyl}pyrrolidine s...
Source Journal
Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.














