Dipole moments of highly vibrationally excited water.

Microscopic Parameters in the Excited State of Toluene and Some of Its Haloderavatives

The Ultraviolet-visible (UV) spectra of toluene, ortho-bromo and para-bromo toluene in different solvents have been studied. The electric dipole moments and polarizabilities in the molecular excited electronic states were determined. It was found that the electric dipole moments for the excited states (µ*) and the ground states (µ) of these compounds are equal, and the change in dipole moment i...

Electronic Polarization of 1H-Benzotriazole in Water: Ground and First Excited-State Dipole Moments

Sequential Monte Carlo and quantum mechanical calculations of the electronic polarization of the ground and first vertical excited states of 1H-benzotriazole in water are made. Using statistically uncorrelated configurations and CASSCF ab initio calculations the increase in the ground and excited state dipole moments of 1Hbenzotriazole from gas phase to aqueous environment are obtained as 2.89 ...

Ab initio dipole surfaces, vibrationally averaged dipole moments, and infrared transition intensities for KCN and LiCN

Rydberg–valence interactions in CH2Cl\CH2¿Cl photodissociation: Dependence of absorption probability on ground state vibrational excitation

A strong enhancement of absorption to the lowest A1 state is observed for vibrationally excited chloromethyl radicals. It is demonstrated that this enhancement is due to a significant increase in both electronic and vibrational Franck–Condon factors. Electronic structure calculations of potential energy surfaces ~PESs! and transition dipole moments for the ground and the two lowest excited stat...

Generation and characterization of highly vibrationally excited molecular beam.

A simple method to generate and characterize a pure highly vibrationally excited azulene molecular beam is demonstrated. Azulene molecules initially excited to the S4 state by 266-nm UV photons reach high vibrationally excited levels of the ground electronic state upon rapid internal conversion from the S4 electronically excited state. VUV laser beams at 157 and 118 nm, respectively, are used t...