We measured room-temperature phonon Raman spectra of changchengite (IrBiS) and compared the experimental wavenumbers to theoretical ones obtained by means \emph{ab initio} density-functional-theory calculations in presence absence spin-orbit coupling effects. Combining two different excitation photon energies all symmetry predicted modes are experimentally observed. The electronic properties Ir...

We report the rotationally resolved gas phase spectrum of pyrene (C16H10), which is now the largest molecule to be observed with rotational resolution using absorption spectroscopy. This represents a significant advance in the application of absorption spectroscopy to large carbon-containing molecules of fundamental chemical and astronomical importance. Such spectra will facilitate the search f...

Femtosecond mid-infrared spectroscopy was applied to study the vibrational spectra and dynamics in the electronic excited states of semiconducting single-walled carbon nanotubes (SWNTs). The experiments were performed by exciting SWNTs dispersed individually in polymethylmethacrylate and polyvinyl alcohol polymer films with 40 fs laser pulses at 800 nm, and the resulting responses were monitore...

Vibrational modes of the relatively strongly bound H2He+ molecular ion and its deuterated congener D2He+ are investigated by low-resolution multi-photon photodissociation spectroscopy, using a combination 4 K cryogenic ion-trap machine free-electron-laser FELIX. The band origins obtained fully explained accurate variational calculations rovibrational states based on three-dimensional potential ...

We analyze experimentally and theoretically >1 GHz optoexcited mechanical vibration in an on-chip micron-scaled sphere. Different eigen-mechanical modes are excited upon demand by the centrifugal radiation pressure of the optical whispering-gallery-mode, enabling an optomechanical modal spectroscopy investigation of many vibrational modes. Spectral analysis of the light emitted from the device ...

The optical and material properties of negatively charged nitrogen–vacancy (NV) centres in diamond make them attractive for applications ranging from quantum information to electromagnetic sensing. These properties are strongly dependent on the vibrational manifold associated with the centre, which determines phenomena associated with decoherence, relaxation and spin–orbit coupling. Despite its...

The vibrational spectrum of an η(1),η(1)-1,2-peroxodiiron(III) complex was measured by nuclear resonance vibrational spectroscopy and fit using an empirical force field analysis. Isotopic (18)O(2) labelling studies revealed a feature involving motion of the {Fe(2)(O(2))}(4+) core that was not previously observed by resonance Raman spectroscopy.

This work presents a nonadiabatic molecular dynamics study of the nonradiative decay of photoexcited trans-azomethane, using the ab initio multiple spawning (AIMS) program that has been interfaced with the General Atomic and Molecular Electronic Structure System (GAMESS) quantum chemistry package for on-the-fly electronic structure evaluation. The interface strategy is discussed, and the capabi...

Negative ion photoelectron spectroscopy was used to elucidate the electronic and geometric structure of the gaseous Al2N/Al2N- molecules, using photodetachment wavelengths of 416 nm (2.977 eV), 355 nm (3.493 eV), and 266 nm (4.661 eV). Three electronic bands are observed and assigned to the X2Sigma(u)+ <-- X1Sigma(g)+, A2Pi(u) <-- X1Sigma(g)+, and B2Sigma(g)+ <-- X1Sigma(g)+ electronic transiti...

The all-boron fullerenes B40(-1) and B39(-1) discovered in recent experiments are characterized and revealed using photoelectron spectroscopy. Except for the photoelectron spectroscopy, one may identify such boron clusters with other spectroscopic techniques, such as infrared spectra and Raman spectra. Insight into the spectral properties of boron clusters is important to understand the boron c...