The geometry change of 5-cyanoindole upon electronic excitation from the ground to the lowest excited singlet state has been determined from a combined fit of the rotational constant changes upon excitation and the vibronic intensities in various fluorescence emission spectra using the Franck-Condon principle. The so determined geometry change is compared to the results of ab initio calculation...

We present quantitative measurements of the photoassociation of cesium molecules inside a far-detuned optical dipole trap. A model of the trap depletion dynamics is derived which allows to extract absolute photoassociation rate coefficients for the initial single-photon photoassociation step from measured trap-loss spectra. The sensitivity of this approach is demonstrated by measuring the Franc...

Franck-Condon (FC) integrals of polyatomic molecules are computed on the basis of vibrational self-consistent-field (VSCF) or configuration-interaction (VCI) calculations capable of including vibrational anharmonicity to any desired extent (within certain molecular size limits). The anharmonic vibrational wave functions of the initial and final states are expanded unambiguously by harmonic osci...

We investigated the inner-sphere reorganization of ferrocene ((Cp) 2Fe ( n+ )) and tris(2,2'-bipyridine) iron ((bpy) 3Fe ( n+ )) in a single-molecule-transistor geometry. In (Cp) 2Fe ( n+ ) ( n = 0 and 1), almost no vibrations were excited during single-electron transport, whereas in (bpy) 3Fe ( n+ ) ( n = 1, 2, and 3), many distinct vibrations appeared, consistent with its larger reorganizatio...

Raman excitation profiles are obtained and compared for carbon nanotube radial breathing mode (RBM) fundamental and overtone vibrations for 5 specific chiralities. Fitting of the Raman excitation data is performed using Raman transform theory. The Huang-Rhys factors obtained from the modeling are directly related to the magnitude of the RBM exciton-phonon coupling element, which is shown to be ...

School of Chemistry F11, The University o [email protected] Department of Material and Life Science, University, Suita, Osaka 565-0871, Japan. E Department of Chemistry and Nano Scienc 750, Korea Faculty of Science and Engineering, Meijo U International Centre for Quantum and M 200444, Shanghai, China. E-mail: reimers@ School of Mathematical and Physical Scien 2007, NSW, Australia....