scholarly journals Multidimensional infrared spectroscopy for molecular vibrational modes with dipolar interactions, anharmonicity, and nonlinearity of dipole moments and polarizability

2005 ◽  
Vol 123 (22) ◽  
pp. 224310 ◽  
Author(s):  
Kim Hyeon-Deuk ◽  
Yoshitaka Tanimura
Keyword(s):  
Infrared Spectroscopy ◽  
Dipole Moments ◽  
Vibrational Modes ◽  
Dipolar Interactions ◽  
Molecular Vibrational Modes

Vibrational Spectroscopic Investigation of Glycine Binding in a Zirconium—Aluminum—Glycine Antiperspirant Material

1979 ◽  
Vol 33 (2) ◽  
pp. 114-118
Author(s):  
Richard P. Oertel ◽  
Rhonda M. Rush
Keyword(s):  
Spectral Analysis ◽  
Infrared Spectroscopy ◽  
Spectroscopic Investigation ◽  
Spectral Features ◽  
Vibrational Modes ◽  
Infrared Band ◽  
Raman And Infrared Spectroscopy ◽  
Almost All ◽  
First Time ◽  
Inhibiting Property

Through use of Raman and infrared spectroscopy, we have determined the mode of incorporation of glycine, a gelation inhibitor, in a complex antiperspirant material (ZAG) containing zirconium and aluminum hydroxy chlorides. Most of the vibrational modes of glycine are affected upon inclusion of this component in ZAG. Our spectral analysis indicates that the glycine in ZAG exists as the dipolar ion, coordinated to metal ions through the COO− end and hydrogen bonded to various constituents through the NH3+ end. Almost all of the glycine in solid ZAG is bound in this fashion, as is more than half of the glycine in a 50% (by wt.) aqueous ZAG solution. This binding could well contribute to the gelation-inhibiting property of the glycine in aqueous ZAG by interfering with the extended hydroxy and oxy bridging that commonly exists in solutions containing Zr(IV) and Al(III). Several spectral features of the bound glycine dipolar ion, most especially a prominent Raman and infrared band near 1475 cm−1, are discussed in detail for the first time.

scholarly journals Fano Resonance Resulting from a Tunable Interaction between Molecular Vibrational Modes and a Double Continuum of a Plasmonic Metamolecule

2013 ◽  
Vol 110 (8) ◽  
Author(s):  
E. J. Osley ◽  
C. G. Biris ◽  
P. G. Thompson ◽  
R. R. F. Jahromi ◽  
P. A. Warburton ◽  
...  
Keyword(s):  
Fano Resonance ◽  
Vibrational Modes ◽  
Molecular Vibrational Modes

The conformation of substituted hydroxyureas and hydroxythioureas in solution

1979 ◽  
Vol 44 (3) ◽  
pp. 895-907 ◽  
Author(s):  
Jiří Mollin ◽  
Pavel Fiedler ◽  
Václav Jehlička ◽  
Otto Exner
Keyword(s):  
Infrared Spectroscopy ◽  
Hydrogen Bonds ◽  
Dipole Moments ◽  
Intramolecular Hydrogen Bonds ◽  
Nonpolar Solvents ◽  
Steric Factors ◽  
Intramolecular Hydrogen ◽  
Hydroxyl Hydrogen

The conformation of 1,3-disubstituted 1-hydroxyureas Ia-d and 1-hydroxythioureas IIa-d, mostly with aromatic substituents, was investigated by means of dipole moments in dioxan solution and by infrared spectroscopy. The results are concordant for the two classes of compounds. The most populated conformation is near to the planar Z, E, ap form (A), or possibly with the hydroxyl hydrogen out of the N-C-N-O plane (between A and B). This finding from the analysis of dipole moments is corroborated by the presence of the amide-II band and absence of intramolecular hydrogen bonds. While the conformation of hydroxyureas seems to be virtually uniform, in the case of hydroxythioureas a less abundant rotamer may be present in nonpolar solvents, possibly the E, E, sp (G) or E, E, ap (F) form. The conformation found (A) is not explicable in terms of hydrogen bonds and/or steric factors when compared to symmetrically substituted ureas (thioureas) and to N-alkylhydroxamic acids.

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