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101.
Chiotellis A Tsoukalas C Pelecanou M Papadopoulos A Raptopoulou C Terzis A Pirmettis I Papadopoulos M Chiotellis E 《Inorganic chemistry》2006,45(14):5635-5640
The present paper deals with the synthesis and structural characterization of novel neutral oxorhenium(V) complexes of the general formula ReO[SNO][NN]. The simultaneous action of the tridentate SNO ligand, N-(2-mercaptoacetyl)glycine (1), and the bidentate NN ligand, N-phenylpyridine-2-aldimine (2), on ReOCl3(PPh3)2 leads to the formation of two isomers 4a and 4b of the general formula ReO[SNO][NN], as a result of the different orientations of the NN ligand. In both cases, the SNO donor atoms of the tridentate ligand occupy the three positions in the equatorial plane of the distorted octahedron, whereas the oxo group is always directed toward one of the apical positions. In the first isomer, 4a, the imino nitrogen of the NN ligand occupies the fourth equatorial position and the pyridine type nitrogen is directed trans to the oxo group, while in the second isomer, 4b, the imino nitrogen of the NN ligand occupies the apical position trans to the oxo group and the pyridine type nitrogen completes the equatorial plane of the distorted octahedron. The [SNO][NN] mixed-ligand system was applied in the synthesis of the oxorhenium complex 5 in which the 1-(2-methoxyphenyl)piperazine moiety, a fragment of the true 5-HT1A antagonist WAY 100635, has been incorporated in the NN bidentate ligand (NN is N-{3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl}pyridine-2-aldimine). In this case, high-performance liquid chromatography and NMR showed the existence of one isomer, 5, in which the pyridine nitrogen is trans to the oxo core, as demonstrated by crystal structure analysis. 相似文献
102.
103.
Ethyl N-(2-methoxycarbonylphenyl)thiocarbamate ( 2), N -(2-ethoxycarbonylphenyl)-4-methoxythiobenz-amide ( 3b ), and 2-(4-methoxyphenyl)-4H-3,1-benzothiazin-4-one ( 4a ), react with nucleophilic reagents containing at least one primary amino group to yield a variety of 2-substituted and 2,4-disubstituted 4(3H)quinazolinones, as well as some tricyclic and tetracyclic products. 相似文献
104.
Within a geometric and algebraic framework, the structures which are related to the spin-statistics connection are discussed. A comparison with the Berry-Robbins approach is made. The underlying geometric structure constitutes an additional support for this approach. In our work, a geometric approach to quantum indistinguishability is introduced which allows the treatment of singlevaluedness of wave functions in a global, model independent way. 相似文献
105.
Papadopoulos MS Pirmettis IC Pelecanou M Raptopoulou CP Terzis A Stassinopoulou CI Chiotellis E 《Inorganic chemistry》1996,35(25):7377-7383
The simultaneous action of the tridentate ligand (C(2)H(5))(2)NCH(2)CH(2)N(CH(2)CH(2)SH)(2) and the monodentate coligand HSC(6)H(4)OCH(3) on a suitable ReO(3+) precursor results in a mixture of syn- and anti-oxorhenium complexes, ReO[(C(2)H(5))(2)NCH(2)CH(2)N(CH(2)CH(2)S)(2)] [SC(6)H(4)OCH(3)], in a ratio of 25/1. The complexes are prepared by a ligand exchange reaction using ReO(eg)(2) (eg = ethylene glycol), ReOCl(3)(PPh(3))(2), or Re(V)-citrate as precursor. Both complexes have been characterized by elemental analysis, FT-IR, UV-vis, X-ray crystallography, and NMR spectroscopy. The syn isomer C(17)H(29)N(2)O(2)S(3)Re crystallizes in the monoclinic space group P2(1)/n, a = 14.109(4) ?, b = 7.518(2) ?, c = 20.900(5) ?, beta = 103.07(1) degrees, V = 2159.4(9) ?(3), Z = 4. The anti isomer C(17)H(29)N(2)O(2)S(3)Re crystallizes in P2(1)/n, a = 9.3850(7) ?, b = 27.979(2) ?, c = 8.3648(6) ?, beta = 99.86(1) degrees, V = 2163.9(3) ?(3), Z = 4. Complete NMR studies show that the orientation of the N substituent chain with respect to the Re=O core greatly influences the observed chemical shifts. Complexes were also prepared at the tracer ((186)Re) level by using (186)Re-citrate as precursor. Corroboration of the structure at tracer level was achieved by comparative HPLC studies. 相似文献
106.
R. Vlastou C. T. Papadopoulos M. Kokkoris G. Perdikakis S. Galanopoulos M. Serris A. Lagoyannis S. Harissopulos 《Journal of Radioanalytical and Nuclear Chemistry》2007,272(2):219-222
The neutron facility at the 5.5 MV tandem T11/25 Accelerator of NCSR “Demokritos” can deliver monoenergetic neutron beams
in the energy range from thermal to 450 keV, 4–11.5 MeV and 16–20.5 MeV via the 7Li(p,n), 2H(d,n) and 3H(d,n) reactions, respectively. The flux variation of the neutron beam is monitored by using a BF3 counter and a liquid scintillator BC501A detector. The 232Th(n,2n)231Th and 241Am(n,2n)240Am as well as (n,2n), (n,p) and (n,α) reactions on natural Ge and Hf isotopes, have been investigated from threshold up to
11.5 MeV, by using the activation method. The cross section values have been determined relative to the 197Au(n,2n)196Au, 27Al(n,α)24Na and 93Nb(n,2n) reference reaction cross sections. 相似文献
107.
108.
109.
This is the first part of a study of the local field effects on (non)linear optical susceptibilities of solutions of para-nitroaniline (pNA) in three different solvents, cyclohexane (CH), 1,4-dioxane (DI), and tetrahydrofuran (THF), using a discrete molecular representation of the condensed phase. To account for dipolar and quadrupolar effects, the latter of which are especially important for DI solution, all the electric properties necessary to compute the local fields and local field gradients in quadrupolar approximation as well as the dipolar hyperpolarizabilities for the four molecules are computed, including frequency dispersion and vibrational contributions to the dipolar properties. The convergence of the perturbation treatment for the pure vibrational (PV) contributions is examined by comparison of the values obtained at the lowest order with those of partially computed second order in mechanical and electrical anharmonicity. For pNA, for which previous computations of the hyperpolarizabilities have generally found poor agreement with experimental results, a thorough investigation of the effects of solvent-induced geometry changes, dynamic and static correlation, frequency dispersion, and classical thermal averaging over the torsional modes of the substituent groups and the inversion mode of the amino group on the dipolar properties is carried out. Computations using self-consistent continuum reaction field models show that the amino group is substantially less pyramidalized in polar solvents than in the gas phase. With all the effects taken into account, reasonable agreement with the experimental electric-field induced second harmonic generation (EFISH) result on pNA vapor of Kaatz, Donley, and Shelton is obtained. 相似文献
110.
We report the results of coupled Hartree-Fock computations for the average polarizability, , and hyperpolarizability, , of CH4, C2H6, C3H6 and C3H8. The Hamiltonian matrices are constructed from an extended CNDO model. Small as well as large basis sets were tested. Agreement with available experimental values is within 13% for and 31% for . 相似文献