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1.
The crystal structure of oxonium neodymium bis(sulfate), (H 3O)Nd(SO 4) 2, shows a two‐dimensional layered framework assembled from SO 4 tetrahedra and NdO 9 tricapped trigonal prisms. One independent sulfate group makes four S—O—Nd linkages, while the other makes five such connections to generate an unprecedented anhydrous anionic [Nd(SO 4) 2] − layer. To achieve charge balance, H 3O + cations are inserted between adjacent layers where they participate in hydrogen‐bonding interactions with the sulfate O atoms of adjacent layers. 相似文献
2.
The design and synthesis of organic-inorganichybrid compounds have aroused contemporary inter-est;not only owing to their diverse structures,but alsoto their potential applications in fields such as catal-ysis,medicine,analytical chemistry and photochem-i… 相似文献
3.
Single crystals of [Cr(H 2O) 6] 2[B 12H 12] 3 · 15H 2O and [In(H 2O) 6] 2[B 12H 12] 3 · 15H 2O were obtained by reactions of aqueous solutions of the acid (H 3O) 2[B 12H 12] with chromium(III) hydroxide and indium metal shot, respectively. The title compounds crystallize isotypically in the trigonal system with space group R$\bar{3}$ c ( a = 1157.62(3), c = 6730.48(9) pm for the chromium, a = 1171.71(3), c = 6740.04(9) pm for the indium compound, Z = 6). The arrangement of the quasi‐icosahedral [B 12H 12] 2– dianions can be considered as stacking of two times nine layers with the sequence … ABCCABBCA… and the metal trications arrange in a cubic closest packed … abc… stacking sequence. The metal trications are octahedrally coordinated by six water molecules of hydration, while another fifteen H 2O molecules fill up the structures as zeolitic crystal water or second‐sphere hydrating species. Between these free and the metal‐bonded water molecules, bridging hydrogen bonds are found. Furthermore, there is also evidence of hydrogen bonding between the anionic [B 12H 12] 2– clusters and the free zeolitic water molecules according to B–H δ– ··· δ+H–O interactions. Vibrational spectroscopy studies prove the presence of these hydrogen bonds and also show slight distortions of the dodecahydro‐ closo‐dodecaborate anions from their ideal icosahedral symmetry ( Ih). Thermal decomposition studies for the example of [Cr(H 2O) 6] 2[B 12H 12] 3 · 15H 2O gave no hints for just a simple multi‐stepwise dehydration process. 相似文献
4.
Synthesis, Crystal Structure, and Thermal Decomposition of Mg(H 2O) 6[B 12H 12] · 6 H 2O By reaction of an aqueous solution of the free acid (H 3O) 2[B 12H 12] with MgCO 3 and subsequent isothermic evaporation of the resulting solution to dryness, colourless, bead‐shaped single crystals of the dodecahydrate of magnesium dodecahydro closo‐dodecaborate Mg(H 2O) 6[B 12H 12] · 6 H 2O (cubic, F4 132; a = 1643.21(9) pm, Z = 8) emerge. The crystal structure is best described as a NaTl‐type arrangement in which the centers of gravity of the quasi‐icosahedral [B 12H 12] 2— anions (d(B—B) = 178—180 pm, d(B—H) = 109 pm) occupy the positions of Tl — while the Mg 2+ cations occupy the Na + positions. A direct coordinative influence of the [B 12H 12] 2— units at the Mg 2+ cations is however not noticeable. The latter are octahedrally coordinated by six water molecules forming isolated hexaaqua complex cations [Mg(H 2O) 6] 2+ (d(Mg—O) = 206 pm, 6×). In addition, six “zeolitic” water molecules are located in the crystal structure for the formation of a strong O—H δ+··· δ—O‐hydrogen bridge‐bonding system. The evidence of weak B—H δ—··· δ+H—O‐hydrogen bonds between water molecules and anionic [B 12H 12] 2— clusters is also considered. Investigations on the dodecahydrate Mg[B 12H 12] · 12 H 2O (≡ Mg(H 2O) 6[B 12H 12] · 6 H 2O) by DTA/TG measurements showed that its dehydration takes place in two steps within a temperature range of 71 and 76 °C as well as at 202 °C, respectively. Thermal treatment eventually leads to the anhydrous magnesium dodecahydro closo‐dodecaborate Mg[B 12H 12]. 相似文献
5.
Acidic Sulfates of Neodymium: Synthesis and Crystal Structure of (H 5O 2)(H 3O) 2Nd(SO 4) 3 and (H 3O) 2Nd(HSO 4) 3SO 4 Light violett single crystals of (H 5O 2)(H 3O) 2 · Nd(SO 4) 3 are obtained by cooling of a solution prepared by dissolving neodymium oxalate in sulfuric acid (80%). According to X‐ray single crystal investigations there are H 3O + ions and H 5O 2+ ions present in the monoclinic structure (P2 1/n, Z = 4, a = 1159.9(4), b = 710.9(3), c = 1594.7(6) pm, β = 96.75(4)°, R all = 0.0260). Nd 3+ is nine‐coordinate by oxygen atoms. The same coordination number is found for Nd 3+ in the crystal structure of (H 3O) 2Nd(HSO 4) 3SO 4 (triclinic, P1, Z = 2, a = 910.0(1), b = 940.3(1), c = 952.6(1) pm, α = 100.14(1)°, β = 112.35(1)°, γ = 105.01(1)°, R all = 0.0283). The compound has been prepared by the reaction of Nd 2O 3 with chlorosulfonic acid in the presence of air. In the crystal structure both sulfate and hydrogensulfate groups occur. In both compounds pronounced hydrogen bonding is observed. 相似文献
6.
The energy transfer reactions He(2 3S) + H 2O and He(2 3S) + H 2S were studied spectroscopically in the visible and ultraviolet ranges in a flowing afterglow apparatus. No primary triatomic ion emission was observed in this study. Only dissociative fragments were found to emit. In the He(2 3S)/H 2O system intense OH(A 2Σ + → X 2Π i) emission bands and hydrogen Balmer series were observed while in the He(2 3S)/H 2S system intense HS +(A 3Π i → X 3 Σ ?), weak hydrogen Balmer series and some atomic sulfur lines were found. It is concluded that dissociative processes are competitive with Penning ionization in these energy transfer reactions with other possible reaction channels playing inferior roles. The post-ionization process of ion—electron recombination in the flowing afterglow dominates the emission results in the He(2 3S)/H 2O system. 相似文献
7.
Detecting the underlying performance of hydrated electrons and hydroxyl radicals in the cationic water cluster can greatly help to understand the inter reaction mechanism in the liquid water and aqueous solutions. Based on our previous (H2O)10+ research, we have paid attention to more problems of larger cationic clusters in this work, including the existence of hemibonded type, long-range correction functions, and hydrogen-bonded site analyses. The lower-energy structures of the cationic water cluster (H2O)12+ have been comprehensively explored, and more experienced functions are introduced to check the ground state and vibration spectrum. Unlike the configuration regularity of neutral (H2O)12 clusters and small cationic water clusters, those new-found structures for (H2O)12+ are inclined to adopt three dimension (3D) cage-like structures and the H2O-OH2 structure appears in the higher energy isomer. The calculation reveals that the lowest stable isomer is the 3D cage structure W14 predicted at MP2 level, which has not been reported yet. In the thermal simulation, structure transition from the cage-like to the ring-like occurs at T?>?≈256 K, and the two dimension (2D) ring-like structure occupies a dominant position at high temperature range. The infrared spectra explain that the difference of the spectra between the 2D net structures and 3D cage-structures is mainly caused by the weight fluctuation of single acceptor-single donor (AD), double acceptor-single donor (AAD), and single acceptor-double donor (ADD) sites in these isomers. This further gives a similarity relation between (H2O)12+ and H+(H2O)12 clusters in the shape of the network and spectral characteristics. By molecular orbitals and topological analysis, we find that the lone pair orbital on hydroxyl radical dominates the reactivity and stability of cationic system. The present research may be helpful for exploring the evolution law of the larger cationic water clusters in the future. 相似文献
8.
The interaction of superoxide ion O 2? with up to four water molecules [O 2?: (H 2O) n, n = 1, 2, 4] has been investigated using ab initio molecular orbital theory. The binding energy of O 2?: H 2O is calculated to be ?20.6 kcal/mol in good agreement with gas phase experimental data. At the MP3/6-31G * level the O 2?:H 2O complex has a C 2v structure with a double (cyclic) hydrogen bond between O 2? and H 2O. A C s structure with a single hydrogen bond is only 0.7 kcal/mol less stable. Interaction of H 2O with the doubly occupied π * orbital of O 2? is preferred slightly over interaction with the singly occupied π * orbital. Natural bond orbital analysis suggests that both electrostatic and charge transfer interactions are important in anionic complexes. The charge transfer occurs predominantly in the O 2? → H 2O direction and is important in determining the relative stabilities of the different structures and states. Singly and doubly hydrogen-bonded structures for the O 2?: (H 2O) 2 and O 2?: (H 2O) 4 clusters were found to be similar in stability and the increase in binding of the cluster becomes smaller as each additional water molecule is added to the cluster. 相似文献
9.
The reactions of H 2O +, H 3O +, D 2O +, and D 3O + with neutral H 2O and D 2O were studied by tandem mass spectrometry. The H 2O + and D 2O + ion reactions exhibited multiple channels, including charge transfer, proton transfer (or hydrogen atom abstraction), and isotopic exchange. The H 3O + and D 3O + ion reactions exhibited only isotope exchange. The variation in the abundances of all ions involved in the reactions was measured over a neutral pressure range from 0 to 2 × 10 −5 Torr. A reaction scheme was chosen, which consisted of a sequence of charge transfer, proton transfer, and isotopic exchange reactions. Exact solutions to two groups of simultaneous differential equations were determined; one group started with the reaction of ionized water, and the other group started with the reactions of protonated water. A nonlinear least-squares regression technique was used to determine the rate coefficients of the individual reactions in the schemes from the ion abundance data. Branching ratios and relative rate coefficients were also determined in this manner.A delta chi-squared analysis of the results of the model fitted to the experimental data indicated that the kinetic information about the primary isotopic exchange processes is statistically the most significant. The errors in the derived values of the kinetic information of subsequent channels increased rapidly. Data from previously published selected ion flow tube (SIFT) study were analyzed in the same manner. Rigorous statistical analysis showed that the statistical isotope scrambling model was unable to explain either the SIFT or the tandem mass spectrometry data. This study shows that statistical analysis can be utilized to assess the validity of possible models in explaining experimentally observed kinetic behaviors. 相似文献
10.
Metal Salts of Benzene‐1,2‐di(sulfonyl)amine. 4. Hydrophobically Wrapped Two‐Dimensional Polymers: Crystal Structures of the Isostructural Metal Complexes [M{C 6H 4(SO 2) 2N}(H 2O)] (M = K, Rb) and of the Structurally Related Ammonium Salt [(NH 4){C 6H 4(SO 2) 2N}(H 2O)] The previously unreported compounds KZ · H 2O ( 1 ), RbZ · H 2O ( 2 ) and NH 4Z · H 2O ( 3 ), where Z – is Ndeprotonated ortho‐benzenedisulfonimide, are examples of layered inorgano‐organic solids, in which the inorganic component is comprised of metal or ammonium cations, N(SO 2) 2 groups and water molecules and the outer regions are formed by the planar benzo rings of the anions. The metal complexes 1 and 2 were found to be strictly isostructural, whereas 3 is structurally related to them by a non‐crystallographic mirror plane ( 1 – 3 : monoclinic, space group P2 1/ c, Z = 4; single crystal X‐ray diffraction at low temperatures). In each structure, the five‐membered 1,3,2‐dithiazolide heterocycle possesses an envelope conformation, the N atom lying about 40 pm outside the mean plane of the S–C–C–S moiety. The metal complexes feature two‐dimensional coordination networks interwoven with O–H…O hydrogen bonds originating from the water molecules. The metal centres adopt an irregular nonacoordination formed by five sulfonyl O atoms, two N atoms and two μ 2‐bridging water molecules; each M + is connected to four different anions. When NH 4+ is substituted for M +, the metal–ligand bonds are replaced by N +–H…O hydrogen bonds, but the general topology of the lamella is not affected. In the three structures, the lipophilic benzo groups protrude obliquely from the surfaces of the polar lamellae and display marked interlocking between adjacent layers. 相似文献
11.
The novel title polyvanadate(V), poly[[octa‐μ‐aqua‐dodecaaqua‐μ 4‐octacosaoxidodecavanadato‐hexasodium] tetrahydrate], [Na 6(H 2O) 20(V 10O 28)·4H 2O] n, contains [V 10O 28] 6− anions which lie about inversion centres and have approximate 2/ m symmetry and which are linked to [Na 3(H 2O) 10] 3+ cations through two terminal and two μ 2‐bridging O atoms. The structure contains three inequivalent Na + cations, two of which form [Na 2(H 2O) 8] n chains, which are linked via NaO 6 octahedra involving the third Na + ion, thus forming a three‐dimensional framework. 相似文献
12.
IntroductionInthelastfewyearsthesearchfornewmaterialswithmicroporousandzeolite analogoussystemshasprimarilyfocusedonaluminumphosphatesandaluminosilicatecom poundssubstitutedwithavarietyofatoms .1 3 Cobalt sub stitutedaluminophosphatesaresystematicallystudiedmainlyduetotheirpotentialuseassolid acidcatalysts .Insuchmaterials ,theBr nstedacidsiteisgeneratedbyeachsubstitutionofAl(III)byCo(II)inwhichaprotonisneededtobalancethecharge .4 7Tofindnewtypeofze oliticmaterials ,theborophosphatemateri… 相似文献
13.
The crystal structures of the isomorphous title compounds, namely potassium zinc hydrogen pyrophosphate dihydrate and potassium manganese hydrogen pyrophosphate dihydrate, consist of acidic pyrophosphate–metallate(II) layers joined by K + ions and hydrogen‐bridging bonds. The Zn 2+/Mn 2+ ions are octahedrally surrounded by four pyrophosphate O atoms and by two water molecules. The (HP 2O 7) 3? anions exhibit eclipsed conformations. The metal ions and water O atoms lie on mirror planes, as does the central O atom of the (HP 2O 7) 3? anion. 相似文献
14.
The behavior of potassium tetrachloropalladate(II) in media simulating biological liquids is studied. The rate of aquation in aqueous NaCl solutions is shown to be higher than the rate at which the Cl ? ligand enters the inner coordination sphere of the Pd atom. In HCl solutions, the formation of the Pd chloro complexes predominates due to protonation of water molecules in the composition of aqua complexes. The reactions of replacement of the ligands (H 2O molecules and H 3O + ion) in the planar Pd(II) complexes by the chloride ion are studied by the ZINDO/1 method. All the complexes containing H 2O and H 3O + ligands, except for [Pd(H 2O) 4] 2+, contain intramolecular hydrogen bonds. The ZINDO/1 and RHF/STO-6G(d) calculations revealed “nonclassic” symmetrical O? H?O hydrogen bond in the [[Pd(H 2O) 3(H 3O)] 3+ and trans-[Pd(H 2O) 2(H 3O)Cl] 2+ complexes. The replacement of the H 3O + ion by the Cl ? ion at the first three steps is thermodynamically more advantageous than the displacement of water molecules from the metal coordination sphere. The logarithms of stepwise stability constants of Pd(II) chloro complexes are found to correlate linearly with the enthalpies (ZINDO/1, PM3) of reactions of H 2O replacement by Cl ?. 相似文献
15.
The title compound, namely octaaquaytterbium(III) aquanonachlorotricadmate(II) hexahydrate, [Yb(H 2O) 8][Cd 3Cl 9(H 2O)]·6H 2O, was prepared by evaporation at 278 K from an aqueous solution of the ternary system YbCl 3–CdCl 2–H 2O and was characterized by elemental chemical analysis and by X‐ray powder and single‐crystal diffraction studies. The crystal structure can be viewed as being built from layers of double chains of CdCl 6 and CdCl 5(H 2O) octahedra separated by antiprismatic [Yb(H 2O) 8] 3+ cations. The stabilization of the structure is ensured by O—H⋯O and O—H⋯Cl hydrogen bonds. A comparison with the structures of SrCd 2Cl 6·8H 2O and CeCd 4Cl 11·13H 2O is presented. 相似文献
16.
[Rb 2(H 2O) 2][Re 3(μ-Cl) 3Br 7(H 2O) 2] 2 · H 2O, a Mixed Halide-Hydrate with the Anionic Dimer {[Re 3(μ-Cl) 3Br 7(H 2O) 2] 2 · H 2O} 2? [Rb 2(H 2O) 2][Re 3(μ-Cl) 3Br 7(H 2O) 2] 2 · H 2O crystallizes as dark redbrown single crystals from an hydrobromic-acid solution of ReCl 3 and RbBr at 0°C. An important feature of the crystal structure (monoclinic, C2/c; a = 1494.61(8); b = 835.71(4); c = 3079.96(19) pm; β = 97.801(4)°; V m = 573.9(4) cm 3mol ?1; R = 0.060; R w = 0.038) is the connection of two anions [Re 3(μ-Cl) 3Br 7(H 2O) 2] ? via a water molecule to dimers, {[Re 3(μ-Cl) 3Br 7(H 2O) 2] 2 · H 2O} 2?. These dimeric units are contained in slabs that are stacked in the [001] direction and held together by Rb + cations and crystal water. 相似文献
17.
Single crystals of three rubidium uranyl selenates, Rb 2[(UO 2)(SeO 4) 2(H 2O)](H 2O) ( 1 ), Rb 2[(UO 2) 2(SeO 4) 3(H 2O) 2](H 2O) 4 ( 2 ), and Rb 4[(UO 2) 3(SeO 4) 5(H 2O)] ( 3 ), have been prepared by evaporation from aqueous solutions made out of mixtures of uranyl nitrate, selenic acid and Rb 2CO 3. The structures of all compounds have been solved by direct methods on the basis of X‐ray diffraction data sets. The crystallographic data are as follows: ( 1 ): orthorhombic, Pna2 1, a = 13.677(2), b = 11.8707(13), c = 7.6397(9) Å, V = 1240.4(3) Å 3, R1 = 0.045 for 2396 independent observed reflections; ( 2 ): triclinic, P1¯, a = 8.4261(12), b = 11.8636(15), c = 13.3279(18) Å, α = 102.612(10), β = 107.250(10), γ = 102.510(10)°, V = 1183.7(3) Å 3, R1 = 0.067 for 4762 independent observed reflections; ( 3 ): orthorhombic, Pbnm, a = 11.3761(14), b = 15.069(2), c = 19.2089(17) Å, V = 3292.9(7) Å 3, R1 = 0.075 for 3808 independent observed reflections. The structures of the phases 1 , 2 , and 3 are based upon uranyl selenate hydrate sheets composed from corner‐sharing pentagonal [UO 7] 8— bipyramids and [SeO 4] 2— tetrahedra. In the crystal structure of 1 , the sheets have composition [(UO 2)(SeO 4) 2(H 2O)] 2— and run parallel to (001). The interlayer contains Rb + cations and additional H 2O molecules. In structure of 2 , the [(UO 2) 2(SeO 4) 3(H 2O) 2] 2— sheets are oriented parallel to (101). Highly disordered Rb + cations and H 2O molecules are located between the sheets. The structure of 3 is based upon [(UO 2) 3(SeO 4) 5(H 2O)] 4— sheets stacked parallel to (010) and contains Rb + cations in the interlayers. The topologies of the uranyl oxoselenate sheets observed in the structures of 1 , 2 , and 3 are related to the same simple and highly‐symmetric graph consisting of 3‐connected white and 6‐connected black vertices. 相似文献
18.
A new protonated borophosphate (H 3O)Mg(H 2O) 2[BP 2O 8]·H 2O ( 1 ) was synthesized under mild hydrothermal conditions and characterized by single‐crystal X‐ray diffraction, FTIR spectroscopy and TG‐DTA. The compound crystallizes in the hexagonal system, space group P6(1)22 (No 178), a = 9.4462(7) Å, c = 15.759(2) Å, V = 1217.8(2) Å 3, and Z = 6. There exist infinite helical $^1_\infty$ {[BP 2O 8] 3–} ribbons built up from corner‐sharing PO 4 and BO 4 tetrahedra, which are connected by MgO 4(H 2O) 2 leading to an infinite three‐dimensional open‐framework. The H 3O + ions are located at the free thread of the helical ribbons, whereas crystallized water occupy the channels of the helical ribbons. The dehydration of the compound occurs at a higher temperature which is presumably due to the anisotropic hydrogen bonds in the crystal structure. The luminescent properties of the compound were studied. 相似文献
19.
The Lanthanum Dodecahydro‐ closo‐Dodecaborate Hydrate [La(H 2O) 9] 2[B 12H 12] 3·15 H 2O and its Oxonium‐Chloride Derivative [La(H 2O) 9](H 3O)Cl 2[B 12H 12]·H 2O By neutralization of an aqueous solution of the free acid (H 3O) 2[B 12H 12] with basic La 2O 3 and after isothermic evaporation colourless, face‐rich single crystals of a water‐rich lanthanum(III) dodecahydro‐ closo‐dodecaborate hydrate [La(H 2O) 9] 2[B 12H 12] 3·15 H 2O are isolated. The compound crystallizes in the trigonal system with the centrosymmetric space group ( a = 1189.95(2), c = 7313.27(9) pm, c/a = 6.146; Z = 6; measuring temperature: 100 K). The crystal structure of [La(H 2O) 9] 2[B 12H 12] 3·15 H 2O can be characterized by two of each other independent, one into another posed motives of lattice components. The [B 12H 12] 2− anions (d(B–B) = 177–179 pm; d(B–H) = 105–116 pm) are arranged according to the samarium structure, while the La 3+ cations are arranged according to the copper structure. The lanthanum cations are coordinated in first sphere by nine oxygen atoms from water molecules in form of a threecapped trigonal prism (d(La–O) = 251–262 pm). A coordinative influence of the [B 12H 12] 2− anions on La 3+ has not been determined. Since “zeolitic” water of hydratation is also present, obviously the classical H–O δ–··· +δH–O‐hydrogen bonds play a significant role in the stabilization of the crystal structure. During the conversion of an aqueous solution of (H 3O) 2[B 12H 12] with lanthanum trichloride an anion‐mixed salt with the composition [La(H 2O) 9](H 3O)Cl 2[B 12H 12]·H 2O is obtained. The compound crystallizes in the hexagonal system with the non‐centrosymmetric space group ( a = 808.84(3), c = 2064.51(8) pm, c/a = 2.552; Z = 2; measuring temperature: 293 K). The crystal structure can be characterized as a layer‐like structure, in which [B 12H 12] 2− anions and H 3O + cations alternate with layers of [La(H 2O) 9] 3+ cations (d(La–O) = 252–260 pm) and Cl − anions along [001]. The [B 12H 12] 2− (d(B–B) = 176–179 pm; d(B–H) = 104–113 pm) and Cl − anions exhibit no coordinative influence on La 3+. Hydrogen bonds are formed between the H 3O + cations and [B 12H 12] 2− anions, also between the water molecules of [La(H 2O) 9] 3+ and Cl − anions, which contribute to the stabilization of the crystal structure. 相似文献
20.
The decomposition reactions of [C 2H 5O] + ions produced by dissociative electron-impact ionization of 2-propanol have been studied, using 13C and deuterium labeling coupled with metastable intensity studies. In addition, the fragmentation reactions following protonation of appropriately labeled acetaldehydes and ethylene oxides with [H 3] + or [D 3] + have been investigated. In both studies particular attention has been paid to the reactions leading to [CHO] +, [C 2H 3] + and [H 3O] +. In both the electron-impact-induced reactions and the chemical ionization systems the fragmentation of [C 2H 5O] + to both [H 3O] + and [C 2H 3] + proceeds by a single mechanism. For each case the reaction involves a mechanism in which the hydrogen originally bonded to oxygen is retained in the oxygen containing fragment while the four hydrogens originally bonded to carbon become indistinguishable. The fragmentation of [C 2H 5O] + to produce [CHO] + proceeds by a number of mechanisms. The lowest energy route involves complete retention of the α carbon and hydrogen while a higher energy route proceeds by a mechanism in which the carbons and the attached hydrogens become indistinguishable. A third distinct mechanism, observed in the electron-impact spectra only, proceeds with retention of the hydroxylic hydrogen in the product ion. Detailed fragmentation mechanisms are proposed to explain the results. It is suggested that the [C 2H 5O] + ions formed by protonation of acetaldehyde or ionization of 2-propanol are produced initially with the structure [CH 3CH?\documentclass{article}\pagestyle{empty}\begin{document}$ \mathop {\rm O}\limits^ + $\end{document}H] (a), but isomerize to [CH 2?CH? \documentclass{article}\pagestyle{empty}\begin{document}$ \mathop {\rm O}\limits^ + $\end{document}H 2] (e) prior to decomposition to [C 2H 3] + or [H 3O] +. The results indicate that the isomerization a → e does not proceed directly, possibly because it is symmetry forbidden, but by two consecutive [1,2] hydrogen shifts. A more general study of the electron-impact mass spectrum of 2-propanol has been made and the fragmentation reactions proceeding from the molecular ion have been identified. 相似文献
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