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71.
Bao Gia Nguyen 《Journal of statistical physics》1987,49(1-2):235-243
A study is made of the gap exponents for percolation processes with the triangle condition in the subcritical region. It is show that the gaps are given by
t
=2 fort=2, 3,. Scaling theory predicts thatP
p
(¦C
0¦S(p))–(p
c
–p) andE
p
(1/¦C
0¦; ¦C
0¦S(p))–(p
c
–p)3, whereS(p) is the typical cluster size. It is found that (p
c
–p)P
p
(|C
0S(p)
1–)(p
c
–p)1–2 and (p
c
–p)3E
p
(1/|C
0|;|C
0|S(p)
1–))(p
c
–p)3–4. 相似文献
72.
Homo-dinuclear alkynyl complexes with a distinct metal–metal bond constitute a rapidly growing field, where the focus is placed on compounds based on ruthenium, molybdenum, tungsten or rhodium. Interesting characteristics of these complexes include paramagnetism, intense charge-transfer absorptions, tunable bridging ligands, which may not be easily accessible in mononuclear acetylide systems. These complexes have significant potential for use in both molecular electronics and supramolecular chemistry. In this short account, previous work in this area is assessed, and each of the major groups of complexes is discussed in terms of both the synthetic strategies and structural motifs. 相似文献
73.
Lingjia Xu Liangliang Zhu Shi Wu Xiaopeng Chen Qiwen Teng 《Central European Journal of Chemistry》2006,4(4):732-742
Supermolecular complexes formed by oligophenyleneethynylene derivatives and isophthalic acid were studied using AM1 method
to obtain binding energy. Electronic spectra and IR spectra of the complexes were calculated by INDO/CIS and AM1 methods based
on AM1 geometries. Results indicated that the dimer could be formed by the monomers via hydrogen bonding because of the negative
binding energy. Binding energy of the complexes was affected by electronegativity and steric effects of the substituents.
The first UV absorptions and IR frequencies of N-H bonds of the complexes were both red-shifted compared with those of the
monomers. The complexes could bind small molecules via hydrogen bonds, resulting in the change in UV absorptions and an increase
in IR frequencies of N-H bonds. 相似文献
74.
J. Baran A. J. Barnes M. K. Marchewka A. Pietraszko H. Ratajczak 《Journal of Molecular Structure》1997,416(1-3):33-42
The crystal structure of bis(betaine)-selenic acid has been determined by X-ray diffraction as orthorhombic, space group Pbca, with a = 11.591(2), b = 22.930(5), c = 12.045(2) Å and Z = 8. The crystal comprises hydrogen selenate ions, HSeO−4, and two distinct betaine molecules, which are held together into a complex by short hydrogen bonds. One of the betaine molecules is present as the zwitterion form (CH3)3N+---CH2---COO− and the second occurs as the protonated form (CH3)3N+---CH2---COOH. Powder FTIR and Raman spectra were measured. An assignment of the observed bands to vibrations of the hydrogen bonds and internal vibrations of the hydrogen selenate ion and the betaine molecules is proposed. 相似文献
75.
Partition coefficients P of the HNCS, HNCO and HN3 hydropseudohalic acids between a number of organic solvents and water were determined. It has been found that log P increases with pKa of the acid and with the basicity of the solvent, but the effect of pKa on P is the smaller the more basic is the solvent. The relationships have been explained in terms of hydrogen bond formation between undissociated acid and solvent molecules. H-bonding between the pseudohalic acids and organic solvents has been confirmed by IR spectra on the example of HN3 in benzene. Association constants for H-bonding between the three acids and water, benzene, dibutyl ether and tri-n-butyl phosphate were determined from partition data. It has been found that H-bonding increases with the strength of the acid, whereas the contribution to partition from non-specific interactions with water and organic solvents depends on the molecular surface area of the acid molecule. 相似文献
76.
77.
Brandon D. ConleyBurl C. Yearwood Sean ParkinDavid A. Atwood 《Journal of fluorine chemistry》2002,115(2):155-160
The preparation and characterization of the ammonium hexafluorosilicate salts, 2[R]+ [SiF6]2− (where R=piperidinium (2), methylammonium (3), quinolinium (4), acridinium (5), 2,2,6,6-tetramethylpiperidinium (6), and propylammonium (7)) is described.The salts were prepared from the reaction of the corresponding alkylammonium fluoride with silica gel. The compounds were characterized by NMR, IR, mass spectrometry and in the case of 1 (piperidinium fluoride), 2-4 by X-ray crystallography. Compounds 1-3 crystallize in the orthorhombic crystal system (space groups Iba2, Fdd2, and Pnnm, respectively), with Z=8, 14, and 4, respectively. Compound 4 crystallizes in the triclinic space group P-1, with Z=2. Compounds 1-4 exhibit hydrogen bonding. 相似文献
78.
Keiko Takahashi Hiroshi Narita Megumi Oh-Hashi Akihiro Yokoyama Tsutomu Yokozawa 《Journal of inclusion phenomena and macrocyclic chemistry》2004,50(1-2):121-127
A complete assignment of proton resonances for N(N-formyl d-phenylalanyl)-deoxyamino--cyclodextrin (1d) was performed by means of 1D and 2D NMR,1H–^1H-COSY, 1H–^13C-COSY, TOCSYand NOESY spectroscopy. Based on 2D-NMR ROESY and circular dichroism spectroscopy, the conformation of 1d was determined; the phenyl group stays inside the distorted cyclodextrin (CyD) cavity forming a self-inclusion complex, which is almost the same as N(N-formyl l-phenylalanyl)-deoxyamino--CyD (1l). The remarkable diastereomeric difference was observed in the chemical shifts of H(5) and H(6) protons at the narrow rim of the CyD cavity and induced circular dichroism spectra. These results suggest the existence of hydrogen bonds between the hydroxyl group on CyD and the amide groups on the arms, which provides the difference in the molecular recognition properties. 相似文献
79.
Clemens C. Freyhardt Michael Wiebcke Jürgen Felsche Günter Engelhardt 《Journal of inclusion phenomena and macrocyclic chemistry》1994,18(2):161-175
Single-crystal X-ray structure analyses of N(nPr)4[B5O6(OH)4][B(OH)3]2,1, and N(nBu)4 [B5O6(OH)4][B(OH)3]2,2, reveal that these materials are novel clathrates, the isotypic host structures of which are three-dimensional assemblies of hydrogen-bonded [B5O6(OH)4]– ionsand B(OH)3 molecules. The assembly of only the pentaborate anions is a distorted (i.e., along [102] elongated) fourconnected diamond-related network. The N(nPr)
4
+
and N(nBu)
4
+
ions are trapped within the complex three-dimensional channel systems of the host frameworks. Both1 and2 crystallize monoclinically with space groupP21/c andZ=4. The cell constants are:1:a=13.592(5),b=12.082(2),c=17.355(6) Å, =106.60(2)° (298K);2:a=13.874(3),b=12.585(1),c=17.588(4) Å, =107.04(1)° (238 K). The results obtained by both11B and13C MAS NMR spectroscopy are discussed. Thermogravimetric studies under a flowing inert-gas atmosphere suggest that water, stemming from polycondensation of the hydrous borate species, is released from the clathrates at ca. 443 K (1) and 398 K (2) before the decomposition of the organic cations starts at ca. 603 K (1) and 603 K (2).Author for correspondence.
Supplementary Data relating to this article are deposited with the British Library as supplementary publication No. SUP 82172 (82 pages). 相似文献
80.
疏水分配常数用于反相液相色谱保留值的预测 总被引:2,自引:0,他引:2
在反相液相色谱保留值基本方程log k_′=a+_cC_B的基础上,描述了采用疏水分配常数及氢键作用能来预测a、c参数的方法,并系统讨论了疏水分配常数对参数a、c的影响,借此对反相液相色谱宽浓度范围内的保留值进行了预测。 相似文献