Journal of the Chemical Society, Faraday Transactions最新文献_第4页

Thermodynamics of the interaction of HCl with D-galactose in water at 278.15–318.15 K 278.15 ~ 318.15 K时水中HCl与d -半乳糖相互作用的热力学

Journal of the Chemical Society, Faraday Transactions Pub Date : 1998-01-01 DOI: 10.1039/A806514D

Jianji Wang, K. Zhuo, Qiufen Zhang, Zhenning Yan, Han-qing Wang

{"title":"Thermodynamics of the interaction of HCl with D-galactose in water at 278.15–318.15 K","authors":"Jianji Wang, K. Zhuo, Qiufen Zhang, Zhenning Yan, Han-qing Wang","doi":"10.1039/A806514D","DOIUrl":"https://doi.org/10.1039/A806514D","url":null,"abstract":"Thermodynamic parameters of the interaction of HCl with D-galactose in water have been determined from electromotive force measurements at 10 K intervals from 278.15 to 318.15 K. Standard Gibbs energies of transfer of HCl from water to aqueous solutions of 5, 10, 15 wt.% D-galactose were evaluated. Comparison of pair interaction parameters of HCl–D-galactose was made with those of HCl–D-glucose and HCl–D-arabinose. The difference between these parameters was interpreted in terms of the stereochemistry of these monosaccharides. An enthalpy–entropy compensation has been observed with the pair interaction parameters for the HCl–sugar–water systems at each given temperature studied. The salting constants, kS, of D-galactose, D-glucose, D-fructose, D-arabinose, and sucrose by HCl in water were calculated from (a) the Debye–MacAulay theory (DMT); (b) Conway–Desnoyers–Smith theory (CDST); (c) the internal pressure theory developed by McDevit–Long (IPT); (d) the scaled particle theory (SPT). The results show that the calculated values of kS are reasonably in agreement with the experimental ones.","PeriodicalId":17286,"journal":{"name":"Journal of the Chemical Society, Faraday Transactions","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"1998-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"85537749","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 14

Investigation of zeolites by photoelectron and ion scattering spectroscopy Part IV XPS studies of vanadium-modified zeolites 沸石的光电子和离子散射光谱研究。第四部分钒改性沸石的XPS研究

Journal of the Chemical Society, Faraday Transactions Pub Date : 1998-01-01 DOI: 10.1039/A800522B

M. Wark, M. Koch, A. Brückner, W. Grünert

引用次数: 29

REACTIONS OF PHOSPHATE RADICALS WITH SUBSTITUTED BENZENES. A STRUCTURE-REACTIVITY CORRELATION STUDY 磷酸基与取代苯的反应。结构-反应性相关性研究

Journal of the Chemical Society, Faraday Transactions Pub Date : 1998-01-01 DOI: 10.1039/A804614J

Sofía S. Cencione, M. Gonzalez, D. Mártire

引用次数: 21

Mapping the unpaired electron density in [Pt(bipy)L2]− (bipy = 2,2′-bipyridine; L = Cl−, CN−, 13CN−): A combined EPR–ENDOR–theoretical study [Pt(bipy)L2]−(bipy = 2,2 ' -联吡啶中未配对电子密度的映射L = Cl−，CN−，13CN−):epr - endo -理论联合研究

Journal of the Chemical Society, Faraday Transactions Pub Date : 1998-01-01 DOI: 10.1039/A804498H

E. McInnes, R. Farley, S. Macgregor, K. J. Taylor, L. Yellowlees, C. Rowlands

{"title":"Mapping the unpaired electron density in [Pt(bipy)L2]− (bipy = 2,2′-bipyridine; L = Cl−, CN−, 13CN−): A combined EPR–ENDOR–theoretical study","authors":"E. McInnes, R. Farley, S. Macgregor, K. J. Taylor, L. Yellowlees, C. Rowlands","doi":"10.1039/A804498H","DOIUrl":"https://doi.org/10.1039/A804498H","url":null,"abstract":"The X-band EPR and electron–nuclear double resonance (ENDOR) spectra of the formally , 17-electron radical anions [Pt(bipy)L2]− (bipy = 2,2′-bipyridine; L = Cl−, CN−, 13CN−) are reported. The 195Pt (I = 1/2, 34%) anisotropic hyperfine matrices are analysed in terms of both 5d and 6p contributions to the singly occupied molecular orbitals (SOMOs). For L = Cl− there is 5.0% 5dyz and 7.6% 6pz character, for L = CN−there is <1% 5dyz and 13.1% 6pz. The bulk of the unpaired electron density is delocalised about the bipy π* system and ENDOR spectra reveal the superhyperfine couplings to the 1H, 14N and 13C (L = 13CN−) nuclei. The unpaired electron densities in the 14N 2pz orbitals contributing to the π* systems are calculated to be 12% and 4% for L = Cl− and CN−, respectively. The cyanide π-orbitals make little contribution to the SOMO for [Pt(bipy)(CN)2]−. There is a good agreement with density functional theory (DFT) MO calculations on the radical anions. DFT calculations also show the atomic orbital compositions of the lowest unoccupied (LU) MO of [Pt(bipy)L2] and the SOMO of [Pt(bipy)L2]− to be virtually identical.","PeriodicalId":17286,"journal":{"name":"Journal of the Chemical Society, Faraday Transactions","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"1998-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"78510879","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 16

AM1/CI study of the first-order hyperpolarizability for push–pull quinones and push–pull polyenes A two-level model evaluation 推挽式醌和推挽式多烯一阶超极化率的AM1/CI研究

Journal of the Chemical Society, Faraday Transactions Pub Date : 1998-01-01 DOI: 10.1039/a800421h

Y. Sheng, Yuansheng Jiang

引用次数: 16

Reactivity of surface nitrate species in the selective reduction of NO with propene over Na–H-mordenite as investigated by dynamic FTIR spectroscopy 动态傅立叶变换红外光谱研究了丙烯在na - h -丝光沸石上选择性还原NO的表面硝酸盐的反应性

Journal of the Chemical Society, Faraday Transactions Pub Date : 1998-01-01 DOI: 10.1039/A705292H

A. Satsuma, T. Enjoji, K. Shimizu, Kazuhiro Sato, H. Yoshida, T. Hattori

{"title":"Reactivity of surface nitrate species in the selective reduction of NO with propene over Na–H-mordenite as investigated by dynamic FTIR spectroscopy","authors":"A. Satsuma, T. Enjoji, K. Shimizu, Kazuhiro Sato, H. Yoshida, T. Hattori","doi":"10.1039/A705292H","DOIUrl":"https://doi.org/10.1039/A705292H","url":null,"abstract":"The reactivity of surface adsorbed species over Na–H-mordenite has been examined by using dynamic insitu IR spectroscopy and the mechanism of the selective reduction of NO with C3H6 discussed. When Na–H-mordenite was exposed to a flow of NO–C3H6–O2 at 573 K, a strong absorption band assignable to NO3− was observed at 1394 cm−1. The intensity of the band significantly decreased when the flowing gas was switched to C3H6–O2. The rate of decrease in NO3− was ca. 3.0 × 10−8 mol g−1 s−1 which was equivalent to the rate of NO conversion to N2 in the NO–C3H6–O2 flow reaction. Thus, it was indicated that NO3− is a reaction intermediate for the formation of N2 and the surface reaction of NO3− is the rate determining step of the formation of N2 in the selective reduction of NO with C3H6. When the flowing gas was switched to C3H6, the rate of decrease in NO3− species was twice as fast as that in C3H6–O2, i.e., the reactivity of NO3− species strongly depended on the presence of O2. Since NO was also formed simultaneously with N2 in the case of NO2–C3H6 reaction, it was suggested that NO3− species oxidize C3H6 accompanying not only the conversion into N2 but also the dissociative decomposition into NO. Weak bands assignable to adsorbed hydrocarbon, carbonyl, nitrite and isocyanate were also observed. On the basis of the changes in the intensity of these bands, the consecutive reaction of surface organic species with NO3− species over Na–H-mordenite was suggested.","PeriodicalId":17286,"journal":{"name":"Journal of the Chemical Society, Faraday Transactions","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"1998-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"81462644","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 27

LOW-FIELD EPR STUDY OF THE METAL-NON-METAL TRANSITION IN SODIUM-AMMONIA SOLUTIONS 钠-氨溶液中金属-非金属过渡的低场epr研究

Journal of the Chemical Society, Faraday Transactions Pub Date : 1998-01-01 DOI: 10.1039/A708597D

O. Terakado, T. Kamiyama, Y. Nakamura

引用次数: 3

Vibrational signatures of fullerene oxides 富勒烯氧化物的振动特征

Journal of the Chemical Society, Faraday Transactions Pub Date : 1998-01-01 DOI: 10.1039/A802560F

M. Krause, L. Dunsch, G. Seifert, P. Fowler, A. Gromov, W. Krätschmer, R. Gutiérez, D. Porezag, T. Frauenheim

引用次数: 25

Is pyridinium hydrochloride a simple hydrogen-bonded complex C5H5N···HCl or an ion pair C5H5NH+···Cl- in the gas phase? An answer from its rotational spectrum 盐酸吡啶在气相中是一个简单的氢键配合物C5H5N···HCl还是一个离子对C5H5NH+··Cl- ?从它的旋转谱中得到答案

Journal of the Chemical Society, Faraday Transactions Pub Date : 1998-01-01 DOI: 10.1039/A708458G

S. Cooke, G. Corlett, D. G. Lister, A. Legon

{"title":"Is pyridinium hydrochloride a simple hydrogen-bonded complex C5H5N···HCl or an ion pair C5H5NH+···Cl- in the gas phase? An answer from its rotational spectrum","authors":"S. Cooke, G. Corlett, D. G. Lister, A. Legon","doi":"10.1039/A708458G","DOIUrl":"https://doi.org/10.1039/A708458G","url":null,"abstract":"The ground-state rotational spectra of the three isotopomers C5H514N···H35Cl, C5H514N···H37Cl and C5H514N···D35Cl of a complex formed by pyridine with hydrogen chloride have been observed by using a fast-mixing nozzle in combination with a pulsed-nozzle, FT microwave spectrometer. Rotational constants A0, B0, C0, centrifugal distortion constants, ΔJ, ΔJK, δJ, δK and nuclear quadrupole coupling constants χaa(A) and χbb(A) − χcc(A) (where A = 14N or Cl) were determined in each case. A detailed interpretation of the spectroscopic constants led to the conclusion that the observed complex has a planar, C2v geometry, with the HCl subunit forming a hydrogen bond to N and lying along the C2 axis of pyridine. The nitrogen to chlorine distance was determined to be 2.999(2) A. The magnitudes of the nuclear quadrupole coupling constants χaa(A) and the intermolecular stretching force constants kσ in comparison with those expected in the hydrogen-bond C5H5N···HCl and ion-pair C5H5NH+···Cl− limits show that the extent of proton transfer from HCl to pyridine is small.","PeriodicalId":17286,"journal":{"name":"Journal of the Chemical Society, Faraday Transactions","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"1998-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"87553198","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 33

Interaction of a model epoxy resin compound, diethanolamine, with aluminium surfaces studied by static SIMS and XPS 用静态SIMS和XPS研究了模型环氧树脂化合物二乙醇胺与铝表面的相互作用

Journal of the Chemical Society, Faraday Transactions Pub Date : 1998-01-01 DOI: 10.1039/A706261C

S. Affrossman, R. Comrie, S. M. Macdonald

{"title":"Interaction of a model epoxy resin compound, diethanolamine, with aluminium surfaces studied by static SIMS and XPS","authors":"S. Affrossman, R. Comrie, S. M. Macdonald","doi":"10.1039/A706261C","DOIUrl":"https://doi.org/10.1039/A706261C","url":null,"abstract":"The interaction of diethanolamine, a model epoxy resin compound, with aluminium surfaces is characterised using static secondary ion mass spectrometry (SIMS) and X-ray photoelectron spectroscopy (XPS). Diethanolamine does not adsorb on γ-alumina but does adsorb on phosphoric acid anodised aluminium, suggesting that the adsorption site is a Bronsted acid. A static SIMS spectrum is obtained consistent with a protonated species and the XPS N 1s signal shows two states for the adsorbate. Diethanolamine on an ion-bombarded aluminium surface does not show the characteristic SIMS spectrum observed with the anodised substrate. It is postulated that the hydroxy groups of the diethanolamine form a dialkoxide covalently bound to the ion-bombarded aluminium. The corresponding XPS N 1s signal showed a single binding energy in the range of Lewis site interactions on alumina.The interaction of all three functionalities of the diethanolamine with the anodised aluminium surface results in stronger adsorption than for a similar difunctional compound, (methylamino)ethanol, indicating that both hydroxy groups are involved in hydrogen bonding to surface acid sites","PeriodicalId":17286,"journal":{"name":"Journal of the Chemical Society, Faraday Transactions","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"1998-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"87716288","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 14