The formation of stable inclusion complexes between neutral and monocationic species of 2-aminobenzothiazole (2ABT) with β-CDx is observed with significant enhancement in absorbance and fluorescence intensity. The stoichiometry of the 2ABT and 2ABTH with β-CDx is found to be 1:1 at pH 6.8 and 1.1. Their binding constant values for neutral and monocationic species are found to be 1239.3 and 1259.2 M, respectively. Lifetime analysis, FT-IR spectral and SEM image analysis strongly supports the formation of the inclusion complex between 2ABT and β-CDx. Photoprototropic study shows that there is no remarkable difference in the pK and pK * in aqueous and β-CDx media, which is rules out the formation of the inclusion complex with -NH group of 2ABT inside the cavity of β-CDx i.e., the -NH group of 2ABT is in aqueous environment. Based on stoichiometry, binding constant and acidity constant values, the structure of the 1:1 complex is proposed.
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http://dx.doi.org/10.1007/s10895-016-1998-6 | DOI Listing |
J Chem Theory Comput
January 2025
Department of Chemistry, Birla Institute of Technology Mesra, Ranchi 835215, India.
Planar hexacoordination is an extremely uncommon phenomenon for the atoms that belong to the main group. Within this article, we have analyzed the potential energy surfaces (PES) of ABeCB (A = N, P, As, Sb, and Bi) clusters in neutral, monocationic, monoanionic, dicationic, and dianionic states using density functional theory (DFT). Among which PBeCB, PBeCB, AsBeCB, AsBeCB, SbBeCB, and BiBeCB clusters contain a planar hexacoordinate boron (phB) atom in the global minimum energy structures with symmetry.
View Article and Find Full Text PDFJ Colloid Interface Sci
January 2025
Department of Chemistry and Biochemistry, Ohio University, 133 University Terrace, Chemistry Building, Athens, OH 45701-2979, United States. Electronic address:
Hypothesis: The monoalkyl diamine surfactant, N-dodecylpropane-1,3-diamine (DPDA), is expected to exhibit a pH-dependent charge switchability. In response to pH changes, the interfacial self-assembly of DPDA becomes an intermediary constituent that can potentially modify the interfacial interactions and structural assembly of both the oil and water phases. Hence, we hypothesize that as we change the pH, DPDA will respond to it by changing its charge and alkyl tail conformation as well as the conformation of adjacent phases at the molecular level, consequently affecting emulsion formation and stability.
View Article and Find Full Text PDFChem Sci
December 2023
Department of Chemistry, Indian Institute of Science Education and Research, Pune Dr. Homi Bhabha Road, Pashan Pune-411008 Maharashtra India
We report the first examples of intramolecular phosphine-stabilized tetra-coordinated germanium(iv) di-cationic compounds: [LGe][CFSO]3 and [LGe][CFSO]3 (L = 6-(diisopropylphosphanyl)-1,2-dihydroacenaphthylene-5-ide; L = 6-(diphenylphosphanyl)-1,2-dihydroacenaphthylene-5-ide). The step wise synthetic strategy involves the isolation of neutral and mono-cationic Ge(iv) precursors: [LGeCl][X] (X = GeCl1, OTf 2), [LGeCl] 1 and [LGeCl][OTf] 2. Both 3 and 3 exhibit constrained spiro-geometry.
View Article and Find Full Text PDFACS Omega
November 2023
School of Physics and Electronic Science, Guizhou Education University, Guiyang 550018, China.
A new kind of nonmetallic atom-doped boron cluster is described herein theoretically. When a phosphorus atom is added to the B motif and loses an electron, a novel B cage is obtained, composed of two B rings at both ends and one B ring in the middle, forming a triangular bifrustum. Interestingly, this B cage is formed by three B units joined together from three directions at an angle of 120°.
View Article and Find Full Text PDFDalton Trans
October 2023
Department of Chemical Sciences; Indian Institute of Science Education and Research Berhampur; Transit Campus, Industrial Training Institute (ITI); Engineering School Road, Ganjam, Odisha, 760010, India.
A series of coinage metal complexes bearing rarely explored -silylated phosphine is reported. The treatment of diphenyl(2-(trimethylsilyl)phenyl)phosphine (1) with CuCl and [Cu(CHCN)]BF furnished the corresponding neutral [(1)CuCl] (2) and mono-cationic [(1)Cu(CHCN)]BF (3) complexes, respectively. The reactions of 1 with AgX (X = BF, NO) in 2 : 1 ratio furnished the corresponding mono cationic dicoordinate silver(I) complexes of the type [(1)Ag]X (X = BF (4a), NO (4b)).
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