101 research outputs found
Direct measurement of the radiative lifetime of vibrationally excited OH radicals
Neutral molecules, isolated in the gas-phase, can be prepared in a long-lived
excited state and stored in a trap. The long observation time afforded by the
trap can then be exploited to measure the radiative lifetime of this state by
monitoring the temporal decay of the population in the trap. This method is
demonstrated here and used to benchmark the Einstein -coefficients in the
Meinel system of OH. A pulsed beam of vibrationally excited OH radicals is
Stark decelerated and loaded into an electrostatic quadrupole trap. The
radiative lifetime of the upper -doublet component of the level is determined as ms, in good
agreement with the calculated value of ms.Comment: 4 pages, 3 figures, submitted to Phys. Rev. Let
A quantum chemical study on the mechanism of cis-trans isomerization in retinal-like protonated Schiff bases
Photodissociation of the OD radical at 226 and 243 nm
The photodissociation dynamics of state selected OD radicals has been examined at 243 and 226 nm using velocity map imaging to probe the angleâspeed distributions of theD(2S) and O(3P2) products. Both experiment and complementary first principle calculations demonstrate that photodissociation occurs by promotion of OD from high vibrational levels of the ground Xâ2Î state to the repulsive 1â2ÎŁâ state
Resonances in rotationally inelastic scattering of OH() with helium and neon
We present detailed calculations on resonances in rotationally and spin-orbit
inelastic scattering of OH (X\,^2\Pi, j=3/2, F_1, f) radicals with He and Ne
atoms. We calculate new \emph{ab initio} potential energy surfaces for OH-He,
and the cross sections derived from these surfaces compare favorably with the
recent crossed beam scattering experiment of Kirste \emph{et al.} [Phys. Rev. A
\textbf{82}, 042717 (2010)]. We identify both shape and Feshbach resonances in
the integral and differential state-to-state scattering cross sections, and we
discuss the prospects for experimentally observing scattering resonances using
Stark decelerated beams of OH radicals.Comment: 14 pages, 15 Figure
Ab initio potential energy surfaces for NH-NH with analytical long range
We present four-dimensional ab initio potential energy surfaces for the three
spin states of the NH-NH complex. The potentials are partially based on the
work of Dhont et al. [J. Chem. Phys. 123, 184302 (2005)]. The surface for the
quintet state is obtained at the RCCSD(T)/aug-cc-pVTZ level of theory and the
energy diferences with the singlet and triplet states are calculated at the
CASPTn/aug-cc-pVTZ (n = 2; 3) level of theory. The ab initio potentials are
fitted to coupled spherical harmonics in the angular coordinates, and the long
range is further expanded as a power series in 1/R. The RCCSD(T) potential is
corrected for a size-consistency error prior to fitting. The long-range
coeficients obtained from the fit are found to be in good agreement with
perturbation theory calculations.Comment: submitted to JCP, supporting information available from authors on
reques
The radiative lifetime of metastable CO ()
We present a combined experimental and theoretical study on the radiative
lifetime of CO in the state. CO molecules in a beam are
prepared in selected rotational levels of this metastable state,
Stark-decelerated and electrostatically trapped. From the phosphorescence decay
in the trap, the radiative lifetime is measured to be ms for the
level. From spin-orbit coupling between the and
the state a 20% longer radiative lifetime of 3.16 ms is calculated for
this level. It is concluded that coupling to other states contributes
to the observed phosphorescence rate of metastable CO.Comment: replaced with final version, added journal referenc
RNA silencing can explain chlorotic infection patterns on plant leaves
<p>Abstract</p> <p>Background</p> <p>RNA silencing has been implicated in virus symptom development in plants. One common infection symptom in plants is the formation of chlorotic tissue in leaves. Chlorotic and healthy tissue co-occur on a single leaf and form patterns. It has been shown that virus levels in chlorotic tissue are high, while they are low in healthy tissue. Additionally, the presence of siRNAs is confined to the chlorotic spots and the boundaries between healthy and infected tissue. These results strongly indicate that the interaction between virus growth and RNA silencing plays a role in the formation of infection patterns on leaves. However, how RNA silencing leads to the intricate patterns is not known.</p> <p>Results</p> <p>Here we elucidate the mechanisms leading to infection patterns and the conditions which lead to the various patterns observed. We present a modeling approach in which we combine intra- and inter-cellular dynamics of RNA silencing and viral growth. We observe that, due to the spread of viruses and the RNA silencing response, parts of the tissue become infected while other parts remain healthy. As is observed in experiments high virus levels coincide with high levels of siRNAs, and siRNAs are also present in the boundaries between infected and healthy tissue. We study how single- and double-stranded cleavage by Dicer and amplification by RNA-dependent RNA polymerase can affect the patterns formed.</p> <p>Conclusion</p> <p>This work shows that RNA silencing and virus growth within a cell, and the local spread of virions and siRNAs between cells can explain the heterogeneous spread of virus in leaf tissue, and therewith the observed infection patterns in plants.</p
Size consistent multireference single and double excitation configuration interaction calculations. The multireference coupled electronâpair approximation
Magnetic anisotropy of individually addressed spin states
Controlling magnetic anisotropy is a key requirement for the fundamental understanding of molecular magnetism and is a prerequisite for numerous applications in magnetic storage, spintronics, and all-spin logic devices. In order to address the question of molecular magnetic anisotropy experimentally, we have synthesized single crystals of a molecular spin system containing four antiferromagnetically coupled s=5/2 manganese(II) ions. Using low-temperature cantilever magnetometry, we demonstrate the selective population of the
S=0,1,...,10 spin states upon application of magnetic fields up to 33 T and map the magnetic anisotropy of each of these states. We observe a strong dependence of the shape and size of the magnetic anisotropy on the populated spin states, and, in particular, reveal an anisotropy reversal upon going from the lowest to the highest spin state
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