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Vibrational energy frequency

Some recent advances in stimulated desorption were made with the use of femtosecond lasers. For example, it was shown by using a femtosecond laser to initiate the desorption of CO from Cu while probing the surface with SHG, that the entire process is completed in less than 325 fs [90]. The mechanism for this kind of laser-induced desorption has been temied desorption induced by multiple electronic transitions (DIMET) [91]. Note that the mechanism must involve a multiphoton process, as a single photon at the laser frequency has insufScient energy to directly induce desorption. DIMET is a modification of the MGR mechanism in which each photon excites the adsorbate to a higher vibrational level, until a suflBcient amount of vibrational energy has been amassed so that the particle can escape the surface. [Pg.313]

To calculate N (E-Eq), the non-torsional transitional modes have been treated as vibrations as well as rotations [26]. The fomier approach is invalid when the transitional mode s barrier for rotation is low, while the latter is inappropriate when the transitional mode is a vibration. Hamionic frequencies for the transitional modes may be obtained from a semi-empirical model [23] or by perfomiing an appropriate nomial mode analysis as a fiinction of the reaction path for the reaction s potential energy surface [26]. Semiclassical quantization may be used to detemiine anliamionic energy levels for die transitional modes [27]. [Pg.1016]

The fitting parameters in the transfomi method are properties related to the two potential energy surfaces that define die electronic resonance. These curves are obtained when the two hypersurfaces are cut along theyth nomial mode coordinate. In order of increasing theoretical sophistication these properties are (i) the relative position of their minima (often called the displacement parameters), (ii) the force constant of the vibration (its frequency), (iii) nuclear coordinate dependence of the electronic transition moment and (iv) the issue of mode mixing upon excitation—known as the Duschinsky effect—requiring a multidimensional approach. [Pg.1201]

Figure B2.5.18 compares this inter molecular selectivity with intra molecular or mode selectivity. In an IR plus UV, two-photon process, it is possible to break either of the two bonds selectively in the same ITOD molecule. Depending on whether the OFI or the OD stretching vibration is excited, the products are either IT -t OD or FIO + D [24]- hr large molecules, mirmnolecular selectivity competes with fast miramolecular (i.e. unimolecular) vibrational energy redistribution (IVR) processes, which destroy the selectivity. In laser experiments with D-difluorobutane [82], it was estimated that, in spite of frequency selective excitation of the... Figure B2.5.18 compares this inter molecular selectivity with intra molecular or mode selectivity. In an IR plus UV, two-photon process, it is possible to break either of the two bonds selectively in the same ITOD molecule. Depending on whether the OFI or the OD stretching vibration is excited, the products are either IT -t OD or FIO + D [24]- hr large molecules, mirmnolecular selectivity competes with fast miramolecular (i.e. unimolecular) vibrational energy redistribution (IVR) processes, which destroy the selectivity. In laser experiments with D-difluorobutane [82], it was estimated that, in spite of frequency selective excitation of the...
The generalized Prony analysis can extract a great variety of information from the ENDyne dynamics, such as the vibrational energy vib arrd the frequency for each normal mode. The classical quantum connection is then made via coherent states, such that, say, each nomral vibrational mode is represented by an evolving state... [Pg.240]

Here, I(co) is the Fourier transform of the above C(t) and AEq f is the adiabatic electronic energy difference (i.e., the energy difference between the v = 0 level in the final electronic state and the v = 0 level in the initial electronic state) for the electronic transition of interest. The above C(t) clearly contains Franck-Condon factors as well as time dependence exp(icOfvjvt + iAEi ft/h) that produces 5-function spikes at each electronic-vibrational transition frequency and rotational time dependence contained in the time correlation function quantity <5ir Eg ii,f(Re) Eg ii,f(Re,t)... [Pg.426]

All of these time correlation functions contain time dependences that arise from rotational motion of a dipole-related vector (i.e., the vibrationally averaged dipole P-avejv (t), the vibrational transition dipole itrans (t) or the electronic transition dipole ii f(Re,t)) and the latter two also contain oscillatory time dependences (i.e., exp(icofv,ivt) or exp(icOfvjvt + iAEi ft/h)) that arise from vibrational or electronic-vibrational energy level differences. In the treatments of the following sections, consideration is given to the rotational contributions under circumstances that characterize, for example, dilute gaseous samples where the collision frequency is low and liquid-phase samples where rotational motion is better described in terms of diffusional motion. [Pg.427]

Section 13 20 IR spectroscopy probes molecular structure by examining transitions between vibrational energy levels using electromagnetic radiation m the 625-4000 cm range The presence or absence of a peak at a charac tenstic frequency tells us whether a certain functional group is present Table 13 4 lists IR absorption frequencies for common structural units... [Pg.577]

In absorption spectroscopy a beam of electromagnetic radiation passes through a sample. Much of the radiation is transmitted without a loss in intensity. At selected frequencies, however, the radiation s intensity is attenuated. This process of attenuation is called absorption. Two general requirements must be met if an analyte is to absorb electromagnetic radiation. The first requirement is that there must be a mechanism by which the radiation s electric field or magnetic field interacts with the analyte. For ultraviolet and visible radiation, this interaction involves the electronic energy of valence electrons. A chemical bond s vibrational energy is altered by the absorbance of infrared radiation. A more detailed treatment of this interaction, and its importance in deter-... [Pg.380]

The reason that does not change with isotopic substitution is that it refers to the bond length at the minimum of the potential energy curve (see Figure 1.13), and this curve, whether it refers to the harmonic oscillator approximation (Section 1.3.6) or an anharmonic oscillator (to be discussed in Section 6.1.3.2), does not change with isotopic substitution. Flowever, the vibrational energy levels within the potential energy curve, and therefore tq, are affected by isotopic substitution this is illustrated by the mass-dependence of the vibration frequency demonstrated by Equation (1.68). [Pg.132]

Ultrasonic Welding. Ultrasonic welding has been appHed to Tefzel with weld strength up to 80% of the strength of the base resin. Typical conditions include a contact pressure of 172 kPa (25 psi) and 1—2 s cycle time. The two basic designs, the shear and butt joints, employ a small initial contact area to concentrate and direct the high frequency vibrational energy. [Pg.370]

There was a logical progression of technology development from continuous to piezoelecttic ink jet. Designers of continuous ink-jet systems ensure that the ink stream breaks into drops of constant size and frequency by applying vibrational energy with piezoelecttic crystals at the natural frequency of drop formation. This overcomes the effects of any random forces from noise, vibrations, or air currents. [Pg.53]

If hvQ is small compared with kT, the partition function becomes kT/hvQ. The function kT jh which pre-multiplies the collision number in the uansition state theoty of the bimolecular collision reaction can therefore be described as resulting from vibration of frequency vq along the transition bond between the A and B atoms, and measures the time between each potential n ansition from reactants to product which will only occur provided that die activation energy, AEq is available. [Pg.49]

When the potential V Q) is symmetric or its asymmetry is smaller than the level spacing (Oq, then at low temperature (T cuo) only the lowest energy doublet is occupied, and the total energy spectrum can be truncated to that of a TLS. If V Q) is coupled to the vibrations whose frequencies are less than coq and co, it can be described by the spin-boson Hamiltonian... [Pg.85]

It follows from the spectrum of the electron energy losses that the hydrogen atom on the (110) face of a tungsten crystal participates in vibrations with frequencies 1310cm 820 cm and. [Pg.111]

The excitation process may generate an excited molecule in any allowed vibrational state, but tbe excess vibrational energy is rapidly lost, and the excited state species may then emit a photon of frequency Vem, this singlet-singlet transition from the excited to ground state being fluorescence. [Pg.180]

At low temperatures nearly all bonds will be in their lowest vibrational level, n = 0, and will, therefore, possess the zero-point vibrational energy, Eq = hvl2. Presuming the molecule behaves as a simple harmonic oscillator, the vibrational frequency is given by... [Pg.294]

Turbulent or unbalanced media flow (i.e., aerodynamic or hydraulic instability) does not have the same quadratic impacts on the vibration profile as that of load change, but it increases the overall vibration energy. This generates a unique profile that can be used to quantify the level of instability present in the machine. The profile generated by unbalanced flow is visible at the vane or blade-pass frequency of the rotating element. In addition, the profile shows a marked increase in the random noise generated by the flow of gas or liquid through the machine. [Pg.670]

Machine components The EIS should provide information on all components (e.g., bearings, gears, gearboxes, electric motors, pumps, etc.) that make up the machine-train. Since these components generate vibration energy and unique frequency components, this information is essential for proper analysis. At a minimum, the information sheet must include detailed bearing information, passing frequencies, and nameplate data. [Pg.714]

An example of resonance is a tuning fork. If you activate a tuning fork by striking it sharply, the fork vibrates rapidly. As long as it is held suspended, the vibration decays with time. However, if you place it on a desktop, the fork could potentially excite the natural frequency of the desk, which would dramatically amplify the vibration energy. [Pg.740]

Narrowband limits, i.e. discrete bandwidth within the broadband, can be established using the following guideline. Normally 60 to 70 per cent of the total vibration energy will occur at the true running speed of the machine. Therefore, the absolute fault limit for a narrowband established to monitor the true running speed would be 0.42 ips-peak. This value can also be used for any narrow-bands established to monitor frequencies below the true running speed. [Pg.811]


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See also in sourсe #XX -- [ Pg.151 , Pg.153 , Pg.155 , Pg.156 , Pg.172 ]




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