Excited states dipole moments

Dipole length, 65 Dipole moments, excited states, 103 operator, 131 oscillating, 49... 

To confirm the generality of a diffuse dipole-bound excited state existing in anion clusters with polar solvent molecules, Johnson and the co-workers extended the study to I clusters solvated with acetonitrile molecules, i.e., I -(CH3CN) (n = 1 and 2) [54]. Acetonitrile was chosen as a suitable solvent, since it has no anionic valence state lying in the lower energy region and its dipole moment is large (3.92 D). 

TABLE 3.7 Compilation of Extinction Coefficient (s), TPA Cross Section (5), Maximum for TP Excitation (7 x), Maximum for OPA Fluorescence Quantum Yield ( f), Transition Dipole Moment Between States So and the Si (Mm), Transition Dipole... 

But also the gs deviates from the uncorrelated limits, with f, 0, in Fig. 11, panel b), even if, quite predictably, deviations are much smaller than for excited states. Finite near the discontinuous neutral-zwitterionic crossover show that the gs cannot be described as the product of local molecular states and therefore does not coincide with the mf or excitonic vacuum state the very same gs is collective in nature and 1-droplet states contribute to the gs. This is the key to understand multielectron transfer wave functions with 1-droplet character have, in C-clusters, very large permanent dipole moments, so that their finite amplitude in the gs is the origin of sizeable transition dipole moments towards states characterized by a high 1-droplet character. 

The two-state model is also applied to determine the first-order hyperpolarizabilities based on the experimental measurements of the spectroscopic quantities [103]. The ground state and the CT excited state dipole moments, excitation energy, as well as transition dipole moment (or oscillator strength) can be determined through the solvatochromic effect measurements. In particular, the first-order hyperpolarizability can be obtained in such a way by employing Eq. (4) or Eq. (6a). 

No. Compound Dipole moment, ground state Dipole moment, first excited singlet state ... 

Infrared and Raman spectroscopy each probe vibrational motion, but respond to a different manifestation of it. Infrared spectroscopy is sensitive to a change in the dipole moment as a function of the vibrational motion, whereas Raman spectroscopy probes the change in polarizability as the molecule undergoes vibrations. Resonance Raman spectroscopy also couples to excited electronic states, and can yield fiirtlier infomiation regarding the identity of the vibration. Raman and IR spectroscopy are often complementary, both in the type of systems tliat can be studied, as well as the infomiation obtained. 

Colvin V L and Alivisatos A P 1992 CdSe nanocrystals with a dipole moment in the excited state J. Chem. Phys. 97 730... 

C3.4.13)). The dimer has a common ground state and excitation may temrinate in eitlier tire or excited state (see tire solid arrows in figure C3.4.3). The transition dipole moments of tliese transitions are defined as ... 

ZINDO is an adaptation of INDO speciflcally for predicting electronic excitations. The proper acronym for ZINDO is INDO/S (spectroscopic INDO), but the ZINDO moniker is more commonly used. ZINDO has been fairly successful in modeling electronic excited states. Some of the codes incorporated in ZINDO include transition-dipole moment computation so that peak intensities as well as wave lengths can be computed. ZINDO generally does poorly for geometry optimization. 

Let (Xgr and jXex be the dipole moments of the ground and excited states. Then if iXgr > the less polar excited state is surrounded by a solvation shell... 

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