scholarly journals Infrared Spectral Hole Burning of 1:1 Hydrogen-Bonded Complexes in Solution

1999 ◽  
Vol 19 (1-4) ◽  
pp. 1-10 ◽  
Author(s):  
S. M. Arrivo ◽  
V. D. Kleiman ◽  
W. T. Grubbs ◽  
T. P. Dougherty ◽  
E. J. Heilweil
Keyword(s):  
Hydrogen Bond ◽  
Hole Burning ◽  
Spectral Hole Burning ◽  
Absorption Bands ◽  
Spectral Hole ◽  
Hydrogen Bond Strength ◽  
Infrared Spectral ◽  
Strength Dependence ◽  
Bonded Complexes ◽  
Hydrogen Bonded

Transient picosecond infrared (IR) spectra of the OH and NH-stretch (v=0–1) absorption bands of several hydrogen-bonded complexes have been investigated. Solutions of 1:1 complexes of weak acids (methanol, triethylsilanol and pyrrole, < 0.1 mol/dm3) and bases (acetonitrile, pyridine and tetrahydrofuran, < 2 mol/dm3) in CCl4 at 295 K were interrogated with IR excitation and broadband probing. Lorentzian-shaped absorption bands are uniformly bleached while those with near-Gaussian bandshapes produce transient spectral holes. These results indicate a base functionality and hydrogen-bond strength dependence for determining the broadening mechanisms of these absorptions.

Infrared spectral hole burning of sulfur-hydrogen deep donors in a Si: Ge crystal

1987 ◽  
Vol 36 (5) ◽  
pp. 2950-2953 ◽  
Author(s):  
S. P. Love ◽  
K. Muro ◽  
R. E. Peale ◽  
A. J. Sievers ◽  
W. Lo
Keyword(s):  
Hole Burning ◽  
Spectral Hole Burning ◽  
Spectral Hole ◽  
Infrared Spectral

Infrared Spectral Hole Burning of Polymers:  A Probe of Local Structure

1997 ◽  
Vol 101 (18) ◽  
pp. 3506-3511 ◽  
Author(s):  
Suli Fei ◽  
Zhan Chen ◽  
Herbert L. Strauss
Keyword(s):  
Local Structure ◽  
Hole Burning ◽  
Spectral Hole Burning ◽  
Spectral Hole ◽  
Infrared Spectral

Bonding topology, hydrogen bond strength, and vibrational chemical shifts on hetero-ring hydrogen-bonded complexes — Theoretical insights revisited

2012 ◽  
Vol 90 (4) ◽  
pp. 368-375 ◽  
Author(s):  
Boaz G. Oliveira ◽  
Regiane C. M. U. Araújo
Keyword(s):  
Hydrogen Bond ◽  
Bond Strength ◽  
Chemical Shifts ◽  
Dipole Moments ◽  
Interaction Strength ◽  
Hydrogen Bond Strength ◽  
Electronic Densities ◽  
Bonded Complexes ◽  
Hydrogen Bonded

This work presents a theoretical study about the interaction strength of the hydrogen-bonded complexes C2H4O···HF, C3H6O···HF, C2H4O···HCF3, and C3H6O···HCF3 at the B3LYP/6–311++G(d,p) level. The structures, hydrogen bond energies, charge transfers, and dipole moments of these complexes were analyzed in accordance with routine spectroscopy events, such as the red- and blue-shifts on the stretch frequencies of the proton donors (HF and HCF3). The ChelpG atomic charges were used to quantify the charge-transfer fluxes from electron donor (O) towards to acceptors (HF or HCF3). Moreover, the topological calculations on the basis of the quantum theory of atoms in molecules (QTAIM) approach were also used to unveil the hydrogen bond strength (O···H), mainly in the determination of their electronic densities and Laplacian shapes.

Sign in / Sign up

Export Citation Format

Share Document