简介:PotentialenergysurfaceofHNOSsystemisinvestigatedbymeansofMP2methodwith6-311++G(d,p)basisset.TheenergyforeachminimumandsaddlepointonthepotentialenergysurfaceiscorrectedattheQCISD(T)/6-311++G(3df,2p)leveloftheorywithzero-pointvibrationalenergyincluded.Asaresult,eighteenisomersaretheoreticallypredictedandcis-HNSOisfoundtobeglobalminimumonthepotentialenergysurface,Wherein,fourteenisomersareconsideredaskineticallystablespecies,andshouldbeexperimentallyobserved.ComparisonsaremadeforHNOSsystemwithitsanalogues,HNO2andNHS2.Thenatureofbondingandisomers'stabilityofHNOSsystemaresimilartoHNS2.TheobvioussimilaritiesanddiscrepanciesamongHNOS,HNO2andHNS2areattributedtothehypervalentcapacityofsulfur,oxygenandnitrogenatoms.
简介:TheseparationofxyleneisomersusingGCisamuchdifficulttaskforalongtime,ontheotherhandtheyareveryimpoFtantindustrialmaterials,sofindingagoodstationaryphasehasbeenaninterestingwork.Anexcellentseparationofxyleneisomerswasobtainedbyusing2,6-di-O-pentyl-3-O...