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1.
C.M. Marian F. Schneider M. Kleinschmidt J. Tatchen 《The European Physical Journal D - Atomic, Molecular, Optical and Plasma Physics》2002,20(3):357-367
Electronic spectra of uracil in its diketo (lactam) form and five enol (lactim) tautomeric forms have been investigated by
means of combined density functional and configuration interaction methods. We have simulated the effects of hydrogen bonding
with a protic solvent by recomputing the spectrum of uracil in the presence of two, four, or six water molecules. Geometries
of the electronic ground state and several low-lying excited states have been optimized. Spin-orbit coupling has been determined
for correlated wavefunctions employing a non-empirical spin-orbit mean-field approach. In accord with experiment, we find
the diketo tautomer to be the most stable one. The calculations confirm that the first absorption band arises from the 1( π↦π*) S
0↦S
2 excitation. The experimentally observed vibrational structure in this band originates from a breathing mode of the six ring.
Complexation with water molecules is seen to cause a significant blue shift of n↦π* excitations while leaving π↦π* excitations nearly uninfluenced. Computed radiative lifetimes are presented for the experimentally known weak phosphorescence
from the π↦π* excited T1 state. Among the uracil lactim tautomers, one is particularly interesting from a spectroscopic point of view. In this tautomer,
the π↦π* excitation gives rise to the S1 state.
Received 18 February 2002 / Received in final form 5 June 2002 Published online 13 September 2002 相似文献
2.
E. Nir Ch. Plützer K. Kleinermanns M. de Vries 《The European Physical Journal D - Atomic, Molecular, Optical and Plasma Physics》2002,20(3):317-329
The vibronic spectra of laser desorbed and jet cooled guanine (G) adenine (A), and cytosine (C) consist of bands from four,
two and two major tautomers respectively, as revealed by UV-UV and IR-UV double resonance spectroscopy. The vibronic spectrum
of adenine around 277 nm consists of weak nπ* and strong ππ* transitions, based on IR-UV and deuteration experiments. Precise ionization potentials of G and A were determined with 2-color,
2-photon ionization. We also measured vibronic and IR spectra of several base pairs. GC exhibits a HNH ... OH/NH ... N/C=O ... HNH bonding similar to the Watson-Crick GC base pair but with C as enol tautomer. One GG isomer exhibits non-symmetric hydrogen
bonding with HNH ... N/NH ... N/C=O ... HNH interactions. A second observed GG isomer has a symmetrical hydrogen bond arrangement with C=O ... NH/NH ... O=C bonding. Two CC isomers were observed with symmetrical C=O ... NH/NH ... O=C bonding and nonsymmetrical C=O ... HNH/NH ... N interaction, respectively. Guanosine (Gs), 2-DeoxyGs und 3-DeoxyGs each exhibit only one isomer in the investigated wavelength
range around 290 nm with a strong intramolecular sugar(5-OH) ... enolguanine(3-N) hydrogen bond.
Received 16 June 2002 / Received in final form 15 July 2002 Published online 13 September 2002 相似文献
3.
Shi-Lin Zhu 《The European Physical Journal A - Hadrons and Nuclei》1999,4(3):277-281
The light cone QCD sum rules are derived for the K
*
Kπ coupling g
K
*
Kπ and the ρππ coupling g
ρππ. The contribution from the excited states and the continuum is subtracted cleanly through the double Borel transform with
respect to the two external momenta, p
1
2, p
2
2= (p−q)2. Our result g
K
*
Kπ= (8.7 ± 0.5) and g
ρππ= (11.5 ± 0.8) is in good agreement with the experimental value.
Received: 31 July 1998 / Revised version: 20 November 1998 相似文献
4.
J. Cederkäll M. Lipoglavšek M. Palacz J. Persson J. Blomqvist A. Ataċ C. Fahlander H. Grawe A. Johnson W. Klamra J. Kownacki A. Likar L.–O. Norlin J. Nyberg R. Schubart D. Seweryniak G. de Angelis P. Bednarczyk Z. Dombrádi D. Foltescu M. Górska D. Jerrestam S. Juutinen E. Mäkelä B. M. G. Perez M. de Poli H. A. T. Shizuma Ö. Skeppstedt G. Sletten S. Törmänen 《The European Physical Journal A - Hadrons and Nuclei》1998,1(1):7-9
New excited states have been observed in the neutron deficient isotope 98Ag following the 58Ni+50Cr →108Te* heavy–ion reaction. One of these states may be interpreted as a maximum spin aligned state of the πg9/2
−3νg7/2 configuration. Other possible interpretations within the nuclear shell model are discussed as well.
Received: 24 October 1997 相似文献
5.
A.L. Sobolewski W. Domcke 《The European Physical Journal D - Atomic, Molecular, Optical and Plasma Physics》2002,20(3):369-374
Minimum-energy reaction paths and corresponding potential-energy profiles have been computed for the lowest excited states of the amino form of 9H-adenine. Complete-active- space self-consistent-field (CASSCF) and density functional theory (DFT) methods have been employed. The potential-energy function of the lowest 1πσ* state, nominally a 3s Rydberg state, is found to be dissociative with respect to the stretching of the NH bond length of the azine group. The 1πσ* potential-energy function intersects not only those of the 1ππ* and 1 nπ* excited states, but also that of the electronic ground state. The 1ππ*- 1πσ* and 1πσ*-S0 intersections are converted into conical intersections when the out-of-plane motion of the active hydrogen atom is taken into account. It is argued that the predissociation of the 1ππ* and 1 nπ* states by the 1πσ* state and the conical intersection of the 1πσ* state with the S0 state provide the mechanism for the ultrafast radiationless deactivation of the excited singlet states of adenine. 相似文献
6.
B.S. Zou G.X. Peng R.G. Ping H.C. Chiang W.X. Ma P.N. Shen 《The European Physical Journal A - Hadrons and Nuclei》2001,11(3):341-344
For J/Ψ↦
pπ0 and
pπ+π-, the π0
p and pπ+π- systems are limited to be pure isospin-(1/2) due to isospin conservation. This is a big advantage in studying N* resonances from J/Ψ decays, compared with πN and γN experiments. The process J/Ψ↦
N
* or p
provides a new way to probe the internal structure of the N* resonances. Here we report a quark model calculation for J/Ψ↦
p,
N
*(1440) and
N
*. The implication for the internal structure of N
*(1440) is discussed.
Received: 1 June 2001 / Accepted: 20 June 2001 相似文献
7.
P. Farmanara H.-H. Ritze V. Stert W. Radloff I.V. Hertel 《The European Physical Journal D - Atomic, Molecular, Optical and Plasma Physics》2002,19(2):193-209
Neutral ammonia clusters (NH3)m are photo-excited to the electronic state by a deep UV femtosecond laser pump pulse. Within a few hundred femtoseconds a significant fraction of the clusters
rearrange to form an H-transfer state (NH3)m-2NH4(3s)NH2 with the subunit NH4 in its 3s electronic ground state. This state is then electronically excited by a time-delayed infrared control pulse of variable wavelength.
Finally, a third (probe) pulse in the UV ionizes the clusters for detection. The lifetime of the excited (NH3)m-2NH4(3p)NH2 states is found to vary between 2.7 and 0.13 ps depending on cluster size and excitation energy. It increases drastically
upon deuteration. The corresponding cluster size-dependent photoelectron spectra allow us to disentangle the underlying energetics
of the excitation and ionization process and reveal additional processes, such as nonresonant ionization or dissociative ionization.
The experimental findings suggest that the excited H-transfer ammonia complexes with m > 2 are deactivated by an internal conversion process back to the electronically lowest H-transfer state followed by fast
dissociation.
Received 22 September 2001 and Received in final form 31 January 2002 相似文献
8.
T.R. Saitoh N. Hashimoto G. Sletten R.A. Bark S. Törmänen M. Bergström K. Furuno K. Furutaka G.B. Hagemann T. Hayakawa T. Komatsubara A. Maj S. Mitarai M. Oshima J. Sampson T. Shizuma P.G. Varmette 《The European Physical Journal A - Hadrons and Nuclei》1998,3(3):197-199
High-spin states in 181Ta have been studied via the 176Yb(11B,α2n) reaction at 52 MeV using the PEX array and at 57 MeV using the NORDBALL array, with α-particle detection. The previously
known, Kπ=(7/2)+ ground state band and Kπ=(9/2)− band have been extended to spins (29/2)+ and (31/2)−, respectively. Two new one-quasiparticle bands, the Kπ=(5/2)+ band built on the known (5/2)+ isomer and a Kπ=((1/2)−) band have been observed. Two other rotational bands with three-quasiparticle structure, Kπ=(15/2)− and ((19/2)+ with π(7/2)[404]ν2(1/2)[510](9/2)[624] and π(9/2)[514]ν2(1/2)[510](9/2)[624] configurations, respectively, have been newly observed. The half-life of the Kπ=((19/2)+) bandhead which decays to the head of the (15/2)− band has been measured to be 140(36) ns. However, transitions from the ((19/2)+) state to the (15/2)− band have not been observed.
Received: 26 August 1998 相似文献
9.
K.-M. Källman M. Brenner V.Z. Goldberg T. Lönnroth P. Manngård A.E. Pakhomov V.V. Pankratov 《The European Physical Journal A - Hadrons and Nuclei》2003,16(2):159-169
The excitation function and angular distributions of elastic α-particle scattering on 28Si have been measured in the laboratory energy range 6-28 MeV using a backscattering technique on a thick target, yielding
a continuous energy distribution. More than 200 narrow states are observed, with widths in the range ∼ 30-100 keV at excitation
energies E
* = 13-32 MeV. Angular distributions at backward angles were measured, and angular momentum values of more than 83 states have
been deduced. The analysis gives spin-parities J
π, α-partial widths Γα and reduced widths of the narrow high-lying resonant states in 32S. The experimentally observed states display both the negative- and the positive-parity rotational-like sequences with seemingly
no parity splitting, a finding which is at variance with most potential-model predictions. The deduced effective moment of
inertia indicates a more extended structure than the ground-state configuration. The observed strength of each ℓ-value is
analyzed in terms of an underlying split doorway state of Lorentzian form, which yields an interpretation as fragmented rotational
α + 28Si states.
Received: 26 June 2000 / Accepted: 16 September 2002 / Published online: 4 February 2003
RID="a"
ID="a"e-mail: kkallman@abo.fi
RID="b"
ID="b"Present address: Swedish Polytechnic, FIN-65200 Vasa, Finland.
Communicated by D. Guerreau 相似文献
10.
Geometries of the first triplet and first singletn-π* excited states of benzaldehyde have been optimized using thesindo 1 molecular orbital wave-function (with CI) and the Newton-Raphson method. The triplet excited state geometry of the molecule
is found to be appreciably non-planar whereas that of the singlet excited state is planar. A crossing of molecular orbitals
occurs in going from the ground state equilibrium geometry to the triplet and singletn-π* excited state equilibrium geometries. Existence of the para-directing effect of the singletn-π* transition for electronic charges found in an earlier work is confirmed by the present work. The tripletn-π* excitation rearranges electronic charges mainly on the CHO group. It is found that the dipole moment of the molecule would
appreciably increase following the singletn-π* excitation whereas the same would appreciably decrease following the tripletn-π* excitation. 相似文献
11.
Dong-Sheng Du Xue-Qian Li Zheng-Tao Wei Bing-Song Zou 《The European Physical Journal A - Hadrons and Nuclei》1999,4(1):91-96
We study the final-state interactions in B →π K decays through B → VV →π K processes where the inelastic rescattering occurs
via single pion exchange. The next-to-leading order low-energy effective Hamiltonian and Bauer-Stech-Wirbel (BSW) model are
used to evaluate the weak transition matrix elements and final-state interactions. We found that the final-state interaction
effects in B →ρ K*→π K processes are significant. The Fleischer-Mannel relation for the Cabibbo-Kobayashi-Maskawa (CKM) angle γ can be significantly
modified.
Received: 13 August 1998 相似文献
12.
A.M. El-Badry T. Kuroyanagi S. Mitarai A. Odahara Y. Gono S. Morinobu K. Ogawa 《The European Physical Journal A - Hadrons and Nuclei》1998,3(2):133-138
A recoil distance method was used to measure half-lives of the excited states of 145Sm. The reaction used was 139La(10B, 4n)145Sm. A plunger system was used. Half-lives were determined for two excited states for the first time. The yrast 27/2+ state was found to have a half-life of 1.1 ± 0.2 ns corresponding to the retardation of 3.1 × 10−4 comparing with the single particle estimate of M1. The excitation energy of this state was well reproduced by the shell model
calculation having a mixed configuration of [π{h11/2(g7/2)−2 (d5/2)−1}10−, νf7/2] + [π{h11/2(g7/2)−1}9−,νh9/2]. Another retarded E1 transition was also found in a decay of a 21/2+ state. Its retardation was 1.6 × 10−4 comparing with the single particle value.
Received: 9 September 1997 / Revised version: 12 June 1998 相似文献
13.
S. Michimasa S. Kubono S.H. Park T. Teranishi Y. Yanagisawa N. Imai Zs. Fülöp X. Liu T. Minemura C.C. Yun J.M. D'Auria K.P. Jackson 《The European Physical Journal A - Hadrons and Nuclei》2002,14(3):275-278
Differential cross-sections of the 24Mg(p, t)22Mg reaction were measured at 34.68 MeV for the states near the proton threshold at 5.502 MeV in 22Mg. Among them, the new states at 5.962, 6.046, 6.246 and 6.323 MeV, which were reported previously, have been confirmed.
Angular distributions for these states were analyzed by distorted-wave Born-approximation calculations to deduce the spins
and parities. The angular distribution for the 5.714 MeV state, which is considered to be most crucial for the stellar reaction
21Na(p, γ)22Mg, has been found to be consistent with J
π = 2+ assignment. The 6.046 MeV state is newly assigned to have J
π = 0+, and the 5.962 MeV state is tentatively assigned to have J
π = (1-). These two states will also play an important role for 22Mg production in novae.
Received: 7 March 2002 / Accepted: 7 May 2002 相似文献
14.
F. Ibrahim J. Genevey E. Cottereau A. Gizon A. Knipper F. Le Blanc G. Marguier J. Obert J. Oms J.C. Putaux B. Roussière J. Sauvage A. Wojtasiewicz 《The European Physical Journal A - Hadrons and Nuclei》2001,10(2):139-143
Low-lying states in the odd-odd light gold isotope 182Au have been populated by the β+/EC decay of the 182Hg nuclei. Level energies, spin and parity values were determined using on-line γ-ray and e- spectroscopy measurements. No isomeric state with a long half-life was found in the 182Au nucleus. Spin and parity I
π = 2+ can be very likely assigned to the 182Au ground state.
Received: 19 December 2000 / Accepted: 28 February 2001 相似文献
15.
X.-J. Wang J.-H. Jiang M.-L. Yan 《The European Physical Journal A - Hadrons and Nuclei》2002,14(2):219-224
In terms of effective field theory and mixed-propagator approach, we show that there is a larger hidden effect of isospin
breaking in ρ→πγ decay due to a ω exchange, ρ→ω→πγ. The branching ratio is predicted as B(ρ→πγ) = (11.67±2.0)×10-4, which is much larger than Particle Data Group's datum (6.8±1.7)×10-4 and one of charged mode, B(ρ±→π±γ) = (4.5±0.5)×10-4.
Received: 7 January 2002 / Accepted: 2 April 2002 相似文献
16.
C. Andreoiu D. Rudolph I. Ragnarsson C. Fahlander R.A.E. Austin M.P. Carpenter R.M. Clark J. Ekman R.V.F. Janssens T.L. Khoo F.G. Kondev T. Lauritsen T. Rodinger D.G. Sarantites D. Seweryniak T. Steinhardt C.E. Svensson O. Thelen J.C. Waddington 《The European Physical Journal A - Hadrons and Nuclei》2002,14(3):317-348
High-spin states in 59Cu were populated using the fusion-evaporation reaction 28Si + 40Ca at a beam energy of 122 MeV. The Gammasphere Ge-detector array in conjunction with the 4π charged-particle detector array
Microball allowed for the detection of γ-rays in coincidence with evaporated light particles. The resulting extensive high-spin
decay scheme of 59Cu is presented, which comprises more than 320 γ-ray transitions connecting about 150 excited states. Their spins and parities
have been assigned via directional correlations of γ-rays emitted from oriented states. Average quadrupole moments of rotational
bands have been determined from the analysis of residual Doppler shifts. Shell model calculations in the fp shell are invoked to study some of the low-spin states, while the experimental characteristics of the rotational bands are
analyzed in the configuration-dependent cranked Nilsson-Strutinsky (CNS) approach.
Received: 15 February 2002 / Accepted: 23 April 2002 相似文献
17.
M. Gutowski I. Dabkowska J. Rak S. Xu J.M. Nilles D. Radisic K.H. Bowen Jr 《The European Physical Journal D - Atomic, Molecular, Optical and Plasma Physics》2002,20(3):431-439
The photoelectron spectra (PES) of anions of uracil-glycine and uracil-phenylalanine complexes reveal broad features with
maxima at 1.8 and 2.0 eV. The results of ab initio density functional B3LYP and second order M?ller-Plesset theory calculations indicate that the excess electron occupies a
π* orbital localized on uracil. The excess electron attachment to the complex can induce a barrier-free proton transfer (BFPT)
from the carboxylic group of glycine to the O8 atom of uracil. As a result, the four most stable structures of the anion of
uracil-glycine complex can be characterized as the neutral radical of hydrogenated uracil solvated by the anion of deprotonated
glycine. The similarity between the PES spectra for the uracil complexes with glycine and phenylalanine suggests that the
BFPT is also operative in the case of the latter anionic species. The BFPT to the O8 atom of uracil may be related to the
damage of nucleic acid bases by low energy electrons because the O8 atom is involved in a hydrogen bond with adenine in the
standard Watson-Crick pairing scheme.
Received 6 April 2002 Published online 13 September 2002 相似文献
18.
《The European Physical Journal A - Hadrons and Nuclei》2003,17(2):241-244
The helicity dependence of the γ
p↦pη reaction has been measured for the first time at a center-of-mass angle θ*
η = 70° in the photon energy range from 780 MeV to 790 MeV. The experiment, performed at the Mainz microtron MAMI, used a 4π-detector
system, a circularly polarized, tagged photon beam, and a longitudinally polarized frozen-spin target. The helicity 3/2 cross-section
is found to be small and the results for helicity 1/2 agree with predictions from the MAID analysis.
Received: 19 December 2002 / Accepted: 10 March 2003 / Published online: 20 May 2003 相似文献
19.
A. Kanaev L. Museur F. Edery T. Laarmann T. Möller 《The European Physical Journal D - Atomic, Molecular, Optical and Plasma Physics》2002,20(2):261-268
We have studied the fluorescence of electronically excited OH*, H* and H2O+* dissociation fragments after VUV excitation ( h
ν≥11.6
eV) of rare-gas clusters (Rg = Ne, Ar) doped with H2O molecules. In contrast to a free molecule, where Balmer H-series dominate the UV-visible spectra, only the OH
*
(
A
2
Σ
+
↦
X
2
Π) emission band is observed in neon clusters. No emission of excited water ions has been observed. We find that while higher
excitation energies (Ne vs. Ar) induce higher vibrational excitation of the OH*
(
A
) fragment, the rotational temperature is lower. This effect is attributed to the difference in the geometric position of the
H2O molecule on the surface or inside the Rg-cluster. The rotational relaxation in neon clusters is rapid while the vibrational
relaxation is slow because of the coupling with the low energy matrix phonons.
Received 7 March 2002 / Received in final form 27 May 2002 Published online 19 July 2002 相似文献