The nature and strength of the intermolecular interactions in the solutions of three azo-benzene derivatives (ADi, i=1, 2, 3) were established by solvatochromic effects in solvents with different electric permittivities, refractive indices and Kamlet-Taft constants. A quantum mechanical analysis corroborated with spectral data offered information about the excited state dipole moments and polarizabilities of the studied compounds. The separation of the supply of universal and specific interactions to the total spectral shift was made based on the regression coefficients from the equations describing the solvatochromic effect. Supplementary information about the composition of the first solvation shell and the energy in the solute-solvent molecular pairs were obtained analyzing the ternary solutions of ADi, i=1, 2, 3 compounds in solvent mixture Methanol (M)+n-Hexane (H).
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http://dx.doi.org/10.1016/j.saa.2014.07.083 | DOI Listing |
Chem Sci
January 2025
State Key Laboratory of Drug Research, Shanghai Institute of Materia Medica, Chinese Academy of Sciences Shanghai 201203 China
α-Halo borides are generally constructed Matteson homologation, and the synthesis of both fluorinated and functionalized ambiphilic boronates is challenging and has received inadequate attention. Herein, we describe the -methyliminodiacetyl boronate [B(MIDA)]-directed halogenation of alkenes a complementary sequence involving fluoroalkyl radical addition followed by guided radical-to-metal oxidative addition and C-X reductive elimination. The alkali cation and functional groups in B(MIDA) enable coulombic interaction and weak attraction with halogens, which could weaken the Pd-X bond and assist in C-X bond formation and is verified by DFT calculations.
View Article and Find Full Text PDFACS Mater Au
January 2025
Beijing National Laboratory for Molecular Science, State Key Laboratory of Rare Earth Materials Chemistry and Applications, College of Chemistry and Molecular Engineering, Peking University, Beijing 100871, China.
Two-dimensional lead iodide perovskites have attracted significant attention for their potential applications in optoelectronic and photonic devices due to their tunable excitonic properties. The choice of organic spacer cations significantly influences the light emission and exciton transport properties of these materials, which are vital for their device performance. In this Perspective, we discuss the impact of spacer cations on lattice dynamics and exciton-phonon coupling, focusing on three representative 2D lead iodide perovskites that exhibit distinct types of structural distortions.
View Article and Find Full Text PDFJ Phys Chem B
January 2025
Chemical, Biological and Macromolecular Sciences, S. N. Bose National Centre for Basic Sciences, J. D. Block, Sec.III, Salt Lake, Kolkata, West Bengal 700 098, India.
We investigated the temperature dependence of the intermolecular dynamics, including intermolecular vibrations and collective orientational relaxation, of one of the most typical deep eutectic solvents, reline, using femtosecond Raman-induced Kerr effect spectroscopy (fs-RIKES), subpicosecond optical Kerr effect spectroscopy (ps-OKES), and molecular dynamics (MD) simulations. According to fs-RIKES results, the temperature-dependent intermolecular vibrational band peak at ∼90 cm exhibited a redshift with increasing temperature. The density-of-state (DOS) spectrum of reline by MD simulations reproduced this fs-RIKES spectral feature.
View Article and Find Full Text PDFAngew Chem Int Ed Engl
January 2025
Zhejiang University, Chemistry, Department of Chemistry, ZhiJinGang Campus, 310058, Hangzhou, CHINA.
Integrating two or more materials to construct membranes with heterogeneous pore structures is an effective strategy for enhancing separation performance. Regularly arranging these heterogeneous pores can significantly optimize the combined effect of the introduced components. Porous Organic Cages (POCs), an emerging subclass of porous materials composed of discrete molecules, assemble to form interconnected pores and exhibit permanent porosity in the solid state.
View Article and Find Full Text PDFAnal Chim Acta
February 2025
Institute of Physical and Analytical Chemistry, School of Exact and Natural Sciences, Tbilisi State University, 0179, Tbilisi, Georgia. Electronic address:
Background: Isotopologues resulting from the labelling of molecules with deuterium have attracted interest due to the isotope effect observed in chemistry and biosciences. Isotope effect may also play out in noncovalent interactions and mechanisms leading to intermolecular recognition. In chromatography, differences in retention time between isotopologues, as well as between isotopomers have been observed resulting in two different elution sequences (isotope effects): the normal isotope effect when heavier isotopologues retain longer than lighter analogues, and the inverse isotope effect featuring the opposite elution order.
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