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991.
The temperature dependences of the equilibrium constants of two chain reversible reactions in quinonediimine (quinonemonoimine)—2,5-dichlorohydroquinone
systems in chlorobenzene were studied. The enthalpy of equilibrium of the reversible reaction of quinonediimine with 4-hydroxydiphenylamine
was estimated from these data (ΔH = − 14.4±1.6 kJ mol−1) and a more accurate value of the N-H bond dissociation energy in the 4-anilinodiphenylaminyl radical was determined (D
NH = 278.6±3.0 kJ mol−1). A chain mechanism was proposed for the reaction between quinonediimine and 2,5-dichlorohydroquinone, and the chain length
was estimated (ν = 300 units) at room temperature. Processing of published data on the rate constant of the reaction of styrylperoxy
radicals with 2,5-dichlorohydroquinone in the framework of the intersecting parabolas method gave the O-H bond dissociation
energy in 2,5-dichlorohydroquinone: D
OH = 362.4±0.9 kJ mol−1. Taking into account these data, the O-H bond dissociation energy in the 2,5-dichlorosemiquinone radical was found: D
OH = 253.6±1.9 kJ mol−1.
Published in Russian in Izvestiya Akademii Nauk. Seriya Khimicheskaya, No. 10, pp. 1661–1666, October, 2006. 相似文献
992.
Accurate lower and upper bounds for the nonrelativistic lowest energies1
E
0 and3
E
0 of the singlet and triplet-system of the4He-Isotop are calculated with the linearized method of variance minimization. The same was done for1
E
1 the energy of the first excitedS-state 21
S.
The results especially for1
E
0 and3
E
0 in a.u. are −2.90330769975 ≤1
E
0 ≤ −2.90330769218 −2.17493242637 ≤3
E
0 ≤ −2.17493242459 i.e. the values are determined with an absolute error smaller than 0.00167 cm−1 for1
E
0 and 0.00039 cm−1 for3
E
0. 相似文献
993.
Yong Wu Hui-Biao Liu Yong-Jiang Liu Chun-Ying Duan Jun Hu Zheng Hu 《Journal of inclusion phenomena and macrocyclic chemistry》2000,36(4):473-478
A new facile method of synthesis of calix[4]arene amide via the aminolysis of the calix[4]arene esters was reported. One ethyl ester of the compound (2) was aminolysized byn-butylamine. The crystal structure of compound (1)shows that one ethyl ester of compound (1) enters into thecavity of another compound (1) forming a long chainhost-guest supramolecule. From the 2D NMR data, the compound(1) does not assemble in THF or CHCl3 solution. The CH- interaction and crystallization energy might be theimportant driving forces for forming the self-assembledcalix[4]arene. 相似文献
994.
995.
996.
meso—四(对—羟基苯基)卟啉与脱氧核糖核酸的作用及其分析应用 总被引:6,自引:6,他引:6
报道了非离子型卟啉meso-四卟啉与脱氧核糖核酸的作用。在PH4.9-5.4范围内,DNA能与聚合态的THP作用,产生不规则的电子吸收光谱。但如果体系中含有30%(V/V)乙醇,DNA与THPP作用产生459.0nm和700.0nm两个新峰。 相似文献
997.
G.B. Song C.Q. Han J.K. Liang Q.L. Liu F.S. Liu G.H. Rao 《Journal of solid state chemistry》2004,177(7):2394-2403
The subsolidus phase relations of the PrOx-CaO-CuO pseudo-ternary system sintered at 950-1000°C have been investigated by X-ray powder diffraction. In this system, there exist one compound Ca10Pr4Cu24O41, one Ca2Pr2Cu5O10-based solid solution, seven three-phase regions and two two-phase regions. The crystal structures of Ca10Pr4Cu24O41 and Ca2Pr2Cu5O10-based solid solution have been determined. Compound Ca10Pr4Cu24O41 crystallizes in an orthorhombic cell with space group D2h20−Cccm, Z=4. Its lattice parameters are a=11.278(2) Å, b=12.448(3) Å and c=27.486(8) Å. The crystal structure of Ca2Pr2Cu5O10-based solid solution is an incommensurate phase based on the orthorhombic NaCuO2 type subcell. The lattice parameters of the subcell of the Ca2.4Pr1.6Cu5O10 are a0=2.8246(7) Å, b0=6.3693(5) Å, c0=10.679(1) Å, and those of the orthorhombic superstructure are with a=5a0, b=b0, c=5c0. The Ca2.4Pr1.6Cu5O10 structure can also be determined by using a monoclinic supercell with space group C2h5−P21/c, Z=4, a=5a0, b=b0, and β=104.79(1)° or 136.60(1)°, V=5a0b0c0. 相似文献
998.
C4/C5烃催化裂解制低碳烯烃的研究进展 总被引:1,自引:0,他引:1
从催化剂类型、裂解工艺、催化裂解的影响因素和裂解机理4个方面对国内外C4/C5烃催化裂解制低碳烯烃的研究进行了综述。催化裂解制低碳烯烃催化剂主要采用ZSM-5分子筛系列催化剂,在此基础上发展了酸改性或水热改性高硅ZSM系列分子筛及介孔MCM41分子筛。总结了国内外C4/C5烃的裂解工艺,认为影响催化裂解的主要因素是裂解原料、催化剂类型及工艺条件。目前,裂解机理主要是自由基与碳正离子机理相结合的机理。并简述了本课题组目前有关C4烷烃催化裂解的主要研究进展。 相似文献
999.
1000.