The synthesis and characterization of molybdenum(II) porphyrin dimers containing unbridged metal-metal quadruple bonds are presented. Variable temperature 300 MHz (1)H NMR studies of meso-substituted derivatives provide novel solution evidence for both the existence of quadruple bonds and for a barrier to rotation about the metal-metal bonds in these complexes. The activation energy for this ro...

für Naturforschung in cooperation with the Max Planck Society for the Advancement of Science under a Creative Commons Attribution 4.0 International License. Dieses Werk wurde im Jahr 2013 vom Verlag Zeitschrift für Naturforschung in Zusammenarbeit mit der Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. digitalisiert und unter folgender Lizenz veröffentlicht: Creative Commons Namen...

We consider a system of interacting non-relativistic bosons confined to one-dimensional ring in the presence synthetic gauge field induced by rotating barrier. Interactions are introduced as constraint space, and barrier is modeled general boundary conditions. Within this setup, we compute effective action investigate profile ground state its sensitivity from rotational velocity properties

The energy change on each Occupied Molecular Orbital as a function of rotation about the C-C bond in ethane was studied using the B3LYP, mPWB95 functional and MP2 methods with different basis sets. Also, the effect of the ZPE on rotational barrier was analyzed. We have found that σ and π energies contribution stabilize a staggered conformation. The σ(s) molecular orbital stabilizes the staggere...

nowadays, nanoscale innovations in the forms of pathogen detection, active packaging, antimicrobial packaging and barrier formation are poised to elevate food packaging to new heights. antimicrobial nanocomposite ldpe films containing zno nanoparticles at different concentrations (e.g. 1%, 3%, 5%  and 3%  nano-zno pulse 10% polyethylene grafted maleic anhydride (pe-g-ma), w/w pure ldpe), were p...

This thesis discusses how much influence excited H2 has on different molecular species in the protoplanetary disk. Since H2 contains more energy in its excited state than in its ground state, some reactions that have an activation barrier or are endothermic, can proceed faster with excited H2. The extra energy is used to overcome the barrier. Also, the reaction rate for the reaction H2(v = 1) +...

Two distinct rotational isomers of thioanisole-d1 (C6H5S-CH2D) and thioanisole-d2 (C6H5S-CHD2) with respect to the internal rotation of the methyl moiety have been identified and characterized spectroscopically using the resonantly enhanced two photon ionization, UV-UV hole burning, and slow-electron velocity map imaging techniques. From the statistical weights, the definite assignment for the ...

It is pointed out that the translational Lorentz effect which has been neglected in all previous analysis of rotational Zeeman spectra has considerable effects on the overall appearance of the Zeeman multiplets if the rotational transitions show first order Stark effect. This situation occurs for symmetric tops and for E-species transitions of molecules with low barrier internal rotations. Incl...

The S1←S0 00 transitions of phenol and the hydrogen bonded phenol~H2O!1 cluster have been studied by high resolution fluorescence excitation spectroscopy. All lines in the monomer spectrum are split by 5664 MHz due to the internal rotation of the 2OH group about the a axis. The barrier for this internal motion is determined in the ground and excited states; V29 5 1215 cm , and V2854710 cm . The...