Search results for "Excited state"
showing 10 items of 1387 documents
Noncovalent axial I∙∙∙Pt∙∙∙I interactions in platinum(II) complexes strengthen in the excited state
2021
Abstract Coordination compounds of platinum(II) participate in various noncovalent axial interactions involving metal center. Weakly bound axial ligands can be electrophilic or nucleophilic; however, interactions with nucleophiles are compromised by electron density clashing. Consequently, simultaneous axial interaction of platinum(II) with two nucleophilic ligands is almost unprecedented. Herein, we report structural and computational study of a platinum(II) complex possessing such intramolecular noncovalent I⋅⋅⋅Pt⋅⋅⋅I interactions. Structural analysis indicates that the two iodine atoms approach the platinum(II) center in a “side‐on” fashion and act as nucleophilic ligands. According to c…
.Single-Ion Magnetic Behaviour in an Iron(III) Porphyrin Complex: A Dichotomy Between High Spin and 5/2-3/2 Spin Admixture
2020
International audience; A mononuclear iron(III) porphyrin compound exhibiting unexpectedly slow magnetic relaxation, which is a characteristic of single-ion magnet behaviour, is reported. This behaviour originates from the close proximity (approximate to 550 cm(-1)) of the intermediate-spinS=3/2 excited states to the high-spinS=5/2 ground state. More quantitatively, although the ground state is mostlyS=5/2, a spin-admixture model evidences a sizable contribution (approximate to 15 %) ofS=3/2 to the ground state, which as a consequence experiences large and positive axial anisotropy (D=+19.2 cm(-1)). Frequency-domain EPR spectroscopy allowed them(S)= |+/- 1/2⟩->|+/- 3/2&Rig…
PROPAGATING INTERFACES IN A TWO-LAYER BISTABLE NEURAL NETWORK
2006
The dynamics of propagating interfaces in a bistable neural network is investigated. We consider the network composed of two coupled 1D lattices and assume that they interact in a local spatial point (pin contact). The network unit is modeled by the FitzHugh–Nagumo-like system in a bistable oscillator mode. The interfaces describe the transition of the network units from the rest (unexcited) state to the excited state where each unit exhibits periodic sequences of excitation pulses or action potentials. We show how the localized inter-layer interaction provides an "excitatory" or "inhibitory" action to the oscillatory activity. In particular, we describe the interface propagation failure a…
Identification of the Jπ = 1− state in 218Ra populated via α decay of 222Th
2016
The α decay of 222Th populating the low-lying J π = 3− state, and also a proposed 1− state, in 218Ra has been observed. The observations suggest an excitation energy of 853 keV for the 1− state, which is 60 keV above the 3− state. The hindrance factors of these α decays give a possible boundary to the region of ground-state octupole deformation in the light-actinide nuclei. The relative positions of the J π = 1− and 3− states suggest they are produced by an octupole-vibrational mechanism, as opposed to α clustering or rotations of a reflection-asymmetric octupole-deformed shape. peerReviewed
The Role of Excited Oxygen Molecules in the Formation of the Secondary Ozone Layer at 87 to 97 km
2018
The secondary ozone layer is located at elevations of 87 to 97 km in the upper mesosphere – lower thermosphere. It overlaps with the ionospheric D-layer. Daytime intensive UV radiation is dissociating O2 molecules to O atoms and photoexcitating O2 molecules up to 11.07eV level. Ozone photolysis between the wavelengths of 118.7–121.6 nm produces three oxygen atoms from one ozone molecule. Collision reactions of O2(B3 Σu —) and O2(X3 Σg —, υ≥26) with O2(X3 Σg —, υ=0) produce additional oxygen atoms. The number of oxygen atoms is maintained at such a high level that a small but significant ozone concentration survives. UV radiation weakens radically during the night. The number of O atoms show…
A Theoretical and Experimental Investigation of the Spectroscopic Properties of a DNA-Intercalator Salphen-Type ZnIIComplex
2014
The photophysical and DNA-binding properties of the cationic zinc(II) complex of 5-triethylammonium methyl salicylidene ortho-phenylenediiminato (ZnL 2 + ) were investi- gated by a combination of experimental and theoretical methods. DFT calculations were performed on both the ground and the first excited states of ZnL 2 + and on its possi- ble mono- and dioxidation products, both in vacuo and in selected solvents mimicked by the polarizable continuum model. Comparison of the calculated absorption and fluores- cence transitions with the corresponding experimental data led to the conclusion that visible light induces a two-elec- tron photooxidation process located on the phenylenediimi- nato…
Spin Crossover and Long-Lived Excited States in a Reduced Molecular Ruby.
2020
Abstract The chromium(III) complex [CrIII(ddpd)2]3+ (molecular ruby; ddpd=N,N′‐dimethyl‐N,N′‐dipyridine‐2‐yl‐pyridine‐2,6‐diamine) is reduced to the genuine chromium(II) complex [CrII(ddpd)2]2+ with d4 electron configuration. This reduced molecular ruby represents one of the very few chromium(II) complexes showing spin crossover (SCO). The reversible SCO is gradual with T 1/2 around room temperature. The low‐spin and high‐spin chromium(II) isomers exhibit distinct spectroscopic and structural properties (UV/Vis/NIR, IR, EPR spectroscopies, single‐crystal XRD). Excitation of [CrII(ddpd)2]2+ with UV light at 20 and 290 K generates electronically excited states with microsecond lifetimes. This…
Photoluminescence and Electron Spin Resonance of Silicon Dioxide Crystal with Rutile Structure (Stishovite)
2018
This work was supported by ERANET MYND. Also, financial support provided by Scientific Research Project for Students and Young Researchers Nr. SJZ/2017/2 realized at the Institute of Solid State Physics, University of Latvia is greatly acknowledged. The authors express our gratitude to R.I. Mashkovtsev for help in ESR signal interpretation. The authors are appreciative to T.I. Dyuzheva, L.M. Lityagina, N.A. Bendeliani for stishovite single crystals and to K. Hubner and H.-J. Fitting for stishovite powder of Barringer Meteor Crater.
Impulsive excitation of high vibrational states in I2–Xe complex on the electronic ground state
2010
Abstract High vibrational states, up to ν = 22, are excited and investigated on the ground electronic state of a 1:1 I 2 –Xe complex isolated in solid Kr using femtosecond CARS technique and spontaneous resonant Raman measurements. The results show that this system is a promising candidate for investigations of coherent control of bimolecular reactions by using vibrational wavepackets on the ground electronic state.
Excitation energies and photoabsorption oscillator strengths of the Rydberg series in CF3Cl. A linear response and quantum defect study.
2007
Vertical excitation energies of the CF(3)Cl molecule have been obtained from a response function approach with a CC reference function to determine absolute photoabsorption oscillator strengths in the molecular-adapted quantum defect orbital formalism (MQDO). The present work covers more highly excited Rydberg states than have been experimentally reported. Assessing of the reliability of the present calculations is provided through a comparative analysis between the results of the molecule and the Cl atom. This can be used to allow for predictions of the same type of properties in other analogous systems.