Ines Urdaneta

Ines Urdaneta
Torus Tech & Resonance Science Foundation

About

16
Publications
4,053
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179
Citations
Citations since 2017
0 Research Items
93 Citations
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201720182019202020212022202305101520
201720182019202020212022202305101520

Publications

Publications (16)
Article
Full-text available
The interaction of molecules with titanium oxide substrates may lead to substantial modifications of their optical properties, in particular a redshift of the absorption spectrum compared to bare titania. In the present paper we discuss the role of the interface between two molecules, catechol and dopamine, with gas-phase (TiO2)N clusters (N=2,4,6)...
Article
Full-text available
The scattering amplitude from a set of discrete states coupled to a continuum became known as the Fano profile, characteristic for its asymmetric lineshape and originally investigated in the context of photoionization. The generality of the model, and the proliferation of engineered nanostructured with confined states gives immense success to the F...
Article
The dopamine-TiO2 system shows a specific spectroscopic response, surface enhanced Raman scattering (SERS), whose mechanism is not fully understood. In this study, the goal is to reveal the key role of the molecule−nanoparticle interface in the electronic structure by means of ab initio modeling. The dopamine adsorption energy on anatase surfaces i...
Article
Interfacial charge transfer has been an area of intense interest because of its relevance in molecular electronics, dye-sensitized solar cells, surface-enhanced Raman scattering (SERS), and photocatalysis. While the chemical nature of both the contact and the linker has been shown to play an important role in determining the properties of hybrid dy...
Article
Hybrids consisting of a metal oxide nanoparticle and a molecule show strong enhancement of Raman modes due to an interfacial charge transfer process that induces the formation of midgap states, thereby reducing the effective gap compared to that of the nano-particle and creating the posibility of an electronic resonance at energies substantially lo...
Article
Full-text available
In this paper, we develop a harmonic approximation of the Franck-Condon Factors (FCF) for any anharmonic potential of diatomic molecules. The method is based on the Taylor series expansion of the potential and the second quantization formalism. Well known recurrence relations are incorporated in the hamiltonian to calculate the FCF. Keeping then on...
Article
Full-text available
The unitary operator V(t) that diagonalizes the time-dependent quadratic Hamiltonian (TDQH) into a time-dependent harmonic oscillator (TDHO) is obtained using a Lie algebra. The method involves a factorization of the TDQH into a TDHO through a unitary Bogoliubov transformation in terms of creation and annihilation operators with time-dependent coef...
Article
Full-text available
We consider an extension of our previous model for photoassisted electron transport in molecular and atomic junctions to the study of nonlinear processes, induced by a laser field, that are strongly influenced by a resonant level structure associated with the material structure between the two metal electrodes. Using a Floquet transformation to inc...
Article
Full-text available
A simple model to assess the relative importance in photo-assisted conductance of laser-induced excitation processes in metal electrodes is presented. We consider both one and two electrodes subject to the combined effect of a dc bias and a time-dependent field using a model for the photo-induced dynamic electron distribution function. Floquet form...
Article
We extend to second order in the field intensity a previously obtained first-order expression for the conductance of a tight-binding molecular wire, bridging two electrodes, illuminated by a weak laser. The higher-order term brings in corrections due to two-photon processes that, for low intensities and strong molecule–electrode contacts, are sever...
Article
We employ the methodological iterative Bogoliubov transformations (IBT) [Int. J. Quantum Chem. 94 (2003) 179], in which analytical expressions for the transition probabilities between quantum states of an anharmonic system interacting with a low intensity time dependent field were derived, for the evaluation of state-to-state transitions in diatomi...
Article
We make use of iterative Bogoliubov transformations (IBT) and employ a procedure derived by Mundarain et al. to derive an approximate analytic expression for the evolution operator of a system consisting of a quartic oscillator coupled to a time-dependent electric field. As a result, this expression resumes the whole iterative process as a global s...
Article
Transition probabilities between quantum states of a molecular system modelled as a quartic anharmonic oscillator interacting with a low intensity time dependent field were obtained. We apply Lie algebraic techniques and make use of iterative Bogoliubov transformations (IBT) to derive an approximate expression for the evolution operator.
Article
Full-text available
Transition probabilities between quantum states of a molecular system interacting with a low intensity time dependent field were obtained. The molecular system is modeled as a quartic anharmonic oscillator, whereas the interaction with the electric field is described by the electric-dipole approximation. We apply Lie algebraic techniques and make u...
Article
Full-text available
. Using the photothermal method we measure the fluorescence quantum yield of a rhodamine 101 solution in ethanol for different values of the pump-field fluence. Our experiments reveal a depletion of the fluorescence quantum yield as the pump fluence increases. To explain the observed fluorescence quenching, a dependence of the nonradiative relaxati...
Article
We measure the absorption spectrum of an ethanol solution of Rhodamine 101 in the spectral region 555 nm - 585 nm as a function of the incident light fluence. Distortions of the absorption spectra are observed at high fluence values. Besides the observation of the light induced spectral broadening, we report the splitting of the spectrum into two p...

Questions

Question (1)
Question
I need to compare quantitatively the nonresonant Raman spectra given by Gaussian with the ones I obtain using a resonant Raman equation. The units are not clear to me; I know the activity spectrum of Gaussian is given in A^4/AMU, but I need the equations they use, and the units involved.

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