STUDY ON 1,2,3-DIAZAPHOSFHOLE V THE REACTION OF 1,2,3-DIAZAPHOSPHOLE WITH 2-BUTYNE-1,4-DIOL

2-Acetyl-5-methyl-2H-1,2,3—diaraphosphole 1 reacted with 2—butyne—1, 4—diol to form a tricoordinated phosphorus compound 7, which then rearranged to a novel 2, 3-disubstituted-1, 3-diene.Similar rearrangement has been observed when diphenylchloropbosphine reacted with 2-butyne—1,4-diol     

THEORETICAL STUDIES ON THE CYCLOADDITION REACTION OF FLUOROKETENE WITH ETHYLIDENIMINE

ＴＨＥＯＲＥＴＩＣＡＬＳＴＵＤＩＥＳＯＮＴＨＥＣＹＣＬＯＡＤＤＩＴＩＯＮＲＥＡＣＴＩＯＮＯＦＦＬＵＯＲＯＫＥＴＥＮＥＷＩＴＨＥＴＨＹＬＩＤＥＮＩＭＩＮＥＴＨＥＯＲＥＴＩＣＡＬＳＴＵＤＩＥＳＯＮＴＨＥＣＹＣＬＯＡＤＤＩＴＩＯＮＲＥＡＣＴＩＯＮＯＦＦＬＵ...     

THEORETICAL STUDIES ON THE REACTION MECHANISM OF AMMONIA WITH FORMALDEHY DE

The reaction mechanism of ammonia with formaldehyde was investigated by usingthe intrinsic reaction coordinate(IRC)method on the ab initio RHF/STO-3G basis set.our results indicate that the reaction proceeds in two stages:the first step yieldsthe molecular complex and the second one is the rearrangement from molecular complex tothe reaction proauct.     

STUDIES ON POLYHALOALKANES Ⅳ. THE REACTION OF POLYFLUOROALKYL IODIDES WITH SILVER(I) SALTS

The conversion of polyfluoroalkyl iodides into the corresponding carboxylic acids by the reaction with silver (I) salts is described.     

STUDIES ON THE REACTION OF ORGANOTELLURONIUM SALTS

The structural studies of the telluronium saltrformation betweendibutyl telluride and secondary (?)-bromo compounds and the use of the obtai-ned salts for the olefination of carbonyl compounds were reported.     

STUDIES ON THE REACTION OF d-ACETAMIDCCINNAMAMIDE WITH TRIS(DIETHYLAMINO)PHOSPHINE

d-Acetamidocinnamamide do not react with P(OMe)_3, with P(NEt_2)_3 they give rise to 2-methyl-4-hydroxy-5-d-[bis(diethylamino)phosphoryl] benzyl imidazole.The pathway is studied for the formation of Ⅰ. The two intermediates(Ⅱ) are isolated.The structures of Ⅰ and Ⅱ are confirmed by IR, ~1H NMR, ~(31)P NMR, Ms.     

ESTER EXCHANGE OF DIPP-HIS WITH ALCOHOLS

Here reported the ester exchange of DIPP-His with primaryalcohols and found that the rate of this reaction was increased asthe increment of the carbon chain of alcohols used.     

STUDIES ON THE INTERACTION OF EPOXY POLYMERS WITH HOMOPOLYUREAS

INTRODUCTION Epoxy resins are reactive polymers which when cured with a variety of chemicals lead to a host of useful thermosets. Since the epoxide is a strained ring, it readily undergoes addition and homopolymerization. The homopolymerization is a process catalysed by acids, bases, Lewis acids, t-amines as well as by inorganic salts.     

SYNTHESIS OF HIGHER ALCOHOLS ON Co-Co-Y CATALYSTS

Hydrogenation of carbon monoxide has been studied under 15 MPaon modified Co-Cu-Y catalysts. Molybdenium was very effective for promotingcatalytic activity, and the synergistic presence of Co, Cu and Mo was necessaryfor the good catalytic performance in the synthesis of higher alcohols C_(2+)OH.Under our experimental conditions, a yield of 175 g/kg cat/h of mixed alcohols(C_1-C_5) was obtained with a C_(2+)OH proportion of 45％ in weight. A stronginteraction between CuO, CoO_y and MoO_x in the modified catalyst was ob-served. The presence of MoO_x stabilized the Y_2O_3 structure of the catalyst duringthe syngas reaction under high pressure illustrated by the X-ray diffractiontests.     

AB INITIO STUDIES ON THE REACTION MECHANISH OF CYCLOADDITION OF KETENE AND FORMALDEHYDE

The cycloaddition reaction of ketene and formaldehyde,lesding to 2-oxetanone,has been studied theoretically by means of RHF/3-21G.This reactionis believed to be nonsynchronous but concerted,taking place through a twistedfour membered ring transition state.Two types of frontier orbitalinteractions are involved in this reaction.The activation barrier iscalculated to be 123.1KJ/mol (MP2/3-21G result).     

STUDIES ON THE CATALYTIC REACTION OF NITROGEN OXIDE ON METAL MODIFIED ACTIVATED CARBON FIBERS

1.INTRODUCTIONNitrogenmonoxide(NO)producedduringthecombustionprocessesisoneofthemostseriouspollutants,whichproducestownsmogandcausesotherseriousworldecologicalproblems.Inrecentyears,scientistspaidgreatattentionstocontrolandremovethiskindofpollutantbydifferenttechniques.Amongthem,catalytictechnologiesareattractivebecauseoftheirlowcostandhighefficiency[1].Nowadays,theNOismainlytreatedbycatalyticreductionwithreducingagentssuchasammoniaandsurphurdioxideandsoonovermetal-basedcatalysts.Thecar…     

STUDIES OF TPSR AND PULSE REACTION OF METHYL IODIDE ON SILICA-SUPPORTED NOBLE METAL CATALYSTS

IntroductionAttcn1ptstoclucidatcthcmcchanismofCtOh}drogcnationontransitionmctalcatal\stsbyusingprobcmoIcculcscanbctraccdbacktoatlcastascarl}'asl95ll]lAlthoughthistcchniqucisanindircctx"a}'ofstud}'ingsurfaccrcactionmcchanisms.itallot"sustostud}'inslIusurfaccrcactionsundcrccrtainconditionsx"hichusualI}'cannotbcprobcdb}'morcdirectinstrumcntalmcthodssuchassurfaccspcctrosc0pictcchniqucsOfintcrcstisthcreccntt"orkrcp0rtcdb}'Bclgucdl2l'KocrtsI3jandYa.l4j\"hoachict'cdthcconvcrsionofmethanctotbrmC2~…     

AM1 METHOD STUDY ON THE REACTION OF OZONE WITH ETHYLENE

ＡＭ１ＭＥＴＨＯＤＳＴＵＤＹＯＮＴＨＥＲＥＡＣＴＩＯＮＯＦＯＺＯＮＥＷＩＴＨＥＴＨＹＬＥＮＥ￥ＳａｎＧｕｏＨＯＮＧ；ＳｈｅｎＷＡＮＧ（ＤｅｐａｒｔｍｅｎｔｏｆＣｈｅｍｉｓｔｒｙ，ＪｉａｎｇｘｉＮｏｒｍａｌＵｎｉｖｅｒｓｉｔｙ，Ｎａｎｃｈａｎｇ３３００...     

AB INITIO STUDY ON THE REACTION OF CH WITH NH3

ＡＢＩＮＩＴＩＯＳＴＵＤＹＯＮＴＨＥＲＥＡＣＴＩＯＮＯＦＣＨＷＩＴＨＮＨ３￥ＺｈｉＸｉａｎｇＷＡＮＧ；ＲｕｏＺｈｕａｎｇＬＩＵ；ＭｉｎｇＢａｏＨＵＡＮＧ；ＺｈｏｎｇＨｕａＹＵ（Ｄｅｐａｒｔｍｅｎｔｏｆｃｈｅｍｉｓｔｉｙ，ＢｅｉｊｉｎｇＮｏｒｍａｌＵｎ...     

MCSCF STUDIES ON THE IRC AND REACTION RATE CONSTANTS FOR THE DEHYDROGENATION REACTION OF VINYL RADICAL

The transition state(TS) and Intrinsic Reaction Coordinate (IRC) for the titled reaction were traced by means of MCSCF/6-31G (210 configurations). The reaction activation energy of this reaction is 140.2KJ/mol. The reaction rate constants of five temperetures were calculated by CVT involving the tunneling effects.     

STUDIES ON THE ORGANOSILICON REACTIVE INTERMEDIATES——Ⅳ.GENERATION AND REACTION OF CYCLOPROPYLPHENYLSILYLENE BY PHOTOCHEMICAL METHOD

In the chemistry of silylene and carbene,owing to the special abilities of cyclo-propyl containing silylenes and carbenes,they have attracted many organic chemistsattention.In carbene chemistry,the ring-expansion and fragmentation of cycloprop-ylphenylcarbene gave out the cyclobutene derivative and alkyne and ethylene.Inorder to find out the reaction products of its counterpart silylene,the cyclopropylp-henylsilylene was investigated.     

DYNAMICS OF GAS-SURFACE INTERACTIONS:REACTION OF MOLECULAR OXYGEN WITH ADSORBED CARBON ON NICKEL

A model LEPS potential has been used to describe the interaction ofan oxygen molecule with a carbon atom adsotbed on Ni(100)surface,whichwas determined by solving the genetalized eigenvalue equation.The potentialenergy surfaces show that the O_2 approaching the Ni(100)face with O—Obond parallel to the erystal face is more profitable to the atom dissociationchemisorptions,carbon dioxide and earbon monoxide.Based on these surfaces,the quasiclassical trajectory calculations have been obtained for the molecule ofoxygen scattered by a nickel surface covered by a carbun atom.The trajectoriesillustrate the molecular dynamical characters of molecular and dissociativechemisorptions,and the CO cesorption.The probabilities of various adsorptionsare given by changing translational.viorational and rotational energies.As aresult,the rules of probability of adsorption are also discussed.     

STUDIES ON THE PROPERTIES OF SCHIFF BASE TYPE ARYLMERCURY COMPOUNDS Ⅲ TRANSMETALLATION REACTION OF SCHIFF BASE TYPE ARYLMERCURY COMPOUNDS WITH METALLIC TIN

The transmetallation reaction of 4 Schiff base type arylmercury compoundswith metallic tin has been carried out in refluxing xylene.It was found that thereaction proceeds in the same manner as that of chloro[2-(phenylazo)phenyl]mercury(Ⅱ)to give dichlorobisaryltin(Ⅳ).The ~1H NMR spectra of the products provide evidence forthe presence of N→Sn intramolecular coordination.The formation ofdichlorobisaryltin(Ⅳ)as a unique product probably arises from the N→Sn intramolecularcoordination which results in the increasing of the stability of the molecule.     

STUDIES ON THE REACTIVITY OF CYCLOAROMATIZATION REACTION VIA a－OXO KETENE DITHIOACETALS

ＳＴＵＤＩＥＳＯＮＴＨＥＲＥＡＣＴＩＶＩＴＹＯＦＣＹＣＬＯＡＲＯＭＡＴＩＺＡＴＩＯＮＲＥＡＣＴＩＯＮＶＩＡａ－ＯＸＯＫＥＴＥＮＥＤＩＴＨＩＯＡＣＥＴＡＬＳ￥ＱｕｎＬＩＵ；ＺｈｉＬｉｎｇＷＡＮＧ；ＳｈｕＪｉａＺＨＡＮＧ；ＺｈｉＹｕｎＹＡＮＧ（Ｄｅｐａｒ...     

STUDIES ON THE REACTION MECHANISM OF ORGANIC HYDROPEROXIDE AND AMINE SYSTEM INITIATED POLYMERIZATION

The initiation mechanism of organic hydroperoxide and amine system has been investigatedsystematically in this paper. It has been confirmed from the IR spectra that organic hydro-peroxide could form hydrogen-bonded complex with amine. The reactive intermediate of theamine and its effect on initiating polymerization have been determined by using ESR techni-que, and further proved by the results of polymer end group analysis and graft copolymeri-zation of vinly monomer onto the amino-containig polymer. Finally, water, as one of the finalproducts of ROOH-amine reaction has been detected through chromatographic analysis, fromwhich the conversion reaction of the reactive intermediate is verified.