A radiationless transition process of long-range, resonance interconversion of electronic-to-vibrational energy transfer (EVET) is discovered between the band-gap excitation of nanocrystal quantum dots to matrix vibrational overtone modes using fluorescence lifetime measurements. A theoretical analysis based on long-range dipole-dipole nonadiabatic couplings, being distinct from the traditional...

Using data from extensive vibrational tests of the new aircraft Saab 2000 a combined method for vibration analysis is studied. The method is based on a realization algorithm followed by standard prediction error methods (PEM). We nd that the realization algorithm gives good initial model parameter estimates that can be further improved by the use of PEM. We use the method to get insights into t...

The structure, charge distribution and electronic coupling between the functional groups, caused by the conversion of two main nitrobenzenes (pand m-dinitrobenzene) into radical anions was studied at B3LYP/6-311++G** level. The vibrational spectra of the neutral compounds and the radical anions, which are closely related to the structural and electronic changes, were also studied and discussed....

We report on a new attempt at an analysis of the vibrational state distributions in the products of a photo-induced chemical reaction. The experiment was performed by using timeresolved electron momentum spectroscopy (TR-EMS) for the products produced by the threebody photodissociation dynamics of the deuterated acetone molecule at 195 nm. It has been found from a comparison between the experim...

This article describes the analysis and interpretation of rovibrational spectra involving highly excited vibrational states in the molecule of HCN. The spectra were obtained by means of the vibrationally mediated photodissociation technique. Analysis of the spectra revealed four bands with Sigma-Sigma structures that, once fitted, provided the energies and rotational constants of four new, high...

We have observed the pure rotational spectra of HBr isotopomers in their v = 0 and v = 1 states between 0.97 and 1.02 THz. i. e. the HBr .7 = 2—1 and the DBr .7 = 4 — 3 transitions, respectively. In the analysis, all presently available rotational transitions of all isotopomers have been fitted to a Dunham-type Hamiltonian to obtain the isotopically invariant parameters, including vibrational a...

The donor/acceptor energy mismatch and vibrational coupling strength dependences of interionic vibrational energy transfer kinetics in electrolyte aqueous solutions were investigated with ultrafast multiple-dimensional vibrational spectroscopy. An analytical equation derived from the Fermi's Golden rule that correlates molecular structural parameters and vibrational energy transfer kinetics was...

FOX-7 (1,1-diamino-2,2-dinitroethylene) recently is expected as a relatively new energetic material with high-performance and low sensitivity. The RHF and MP2 levels and DFT method with B3LYP functional with aug-cc-pVDZ basis set have been used for obtaining equilibrium geometry and Rho function (electron density distribution). By the aid of fundamental physical theorems implemented in the ...