Heterogenized Molecular Catalysts: Vibrational Sum-Frequency Spectroscopic, Electrochemical, and Theoretical Investigations
نویسندگان
چکیده
منابع مشابه
Surface orientation of magainin 2: molecular dynamics simulation and sum frequency generation vibrational spectroscopic studies.
We combined molecular dynamics based free energy calculations with sum frequency generation (SFG) spectroscopy to study the orientational distribution of solvated peptides near hydrophobic surfaces. Using a simplified atomistic model of the polystyrene (PS) surface, molecular dynamics simulations have been applied to compute the orientational probability of an α-helical peptide, magainin 2, wit...
متن کاملInvestigations of the solid–aqueous interface with vibrational sum-frequency spectroscopy
Vibrational sum-frequency spectroscopy (VSFS) is increasingly being applied to understanding the molecular properties of the solid/ liquid interface. There are many opportunities in the future for understanding important issues in interfacial science. This review provides insight into recent applications and advances of VSFS to the solid/aqueous interface with particular focus on the behavior o...
متن کاملIn situ sum-frequency vibrational spectroscopy of electrochemical interfaces with surface plasmon resonance.
Electrochemical (EC) reactions are crucial in many applications, yet most EC analytical tools lack the sensitivity to access molecular-level information of reactants and products. By combining sum-frequency vibrational spectroscopy and surface plasmon resonance at EC interfaces, we demonstrate the feasibility of measuring in situ and real-time vibrational spectra during EC reactions at noble me...
متن کاملElectrochemical and spectroscopic investigations of protonated ferrocene-DNA intercalation.
The interaction of protonated ferrocene (PF) with chicken blood DNA (CB-DNA) has been investigated in vitro by cyclic voltammetry (CV) and UV-Vis spectroscopy as well as viscosity measurements under stomach pH and body temperature. The peak potentials shift in CV, hyperchromism in UV absorption titration, an increase in the viscosity of DNA and the results of the effect of ionic strength on the...
متن کاملTheoretical Studies of the Vibrational Spectra and Molecular Structures of Dosulepin and Doxepin
Dosulepin and doxepin are tricyclic antidepressants. The molecular geometries, harmonic vibrational frequencies, quantum chemical parameters and thermodynamic properties of dosulepin and doxepin were calculated by Generalized Gradient Approximation methods developed by Perdew and Wang (GGA-PW91) and Becke-Lee-Yang-Parr (GGA-BLYP) in the gas phase and solution media. The local reactivity of thes...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
ژورنال
عنوان ژورنال: Accounts of Chemical Research
سال: 2019
ISSN: 0001-4842,1520-4898
DOI: 10.1021/acs.accounts.9b00001