ChemInform Abstract: Structural and Molecular Orbital Properties of Some Boroxine Derivatives — A Theoretical Study

Abstract

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Synthesis, Crystal Structure, Thermal Behavior and Sensitivity of [Mn(AZT)₂(H₂O)₄] (HTNR)₂·4H₂O

“…FENGJin鄄Ling etal.： Synthesis,Structure,ThermalBehaviorandSensitivityof[Mn(AZT) 2 (H 2 O) 4 ](HTNR) 2 •4H 2 O Nitrogen鄄richcompoundshaveattractedsignificantattention duetotheirpotentialapplicationsashigh鄄energy鄄densitymateri鄄 als(HEDMs)inpropulsionandexplosivefields [1][2][3][4][5][6][7] .Theyderive mostoftheirenergieseitherfromtheoxidationofthecarbon backbone,orfromtheirhighpositiveheatsofformation [8] .Good HEDMspossesshighdensity,haveafastvelocityofdetonation, andareenergeticallyunstablewithrespecttotheirreaction products.Five鄄membernitrogen鄄richheterocycliccompounds, suchastriazoleseries [9][10][11][12][13][14][15] ,areoneoftherepresentativecandidates ofHEDMs.Thehighpositiveformationenthalpyandhighnitro鄄 gencontentoftriazolehavemadeitscomplexesinterestingfor beingusedasenergeticmaterials.Theadditionofazidegroup stronglyimmprovesitsenergeticproperties [16] .Thenitrogencon鄄 tentof3鄄azido鄄1,2,4鄄triazole(AZT)is76.36%,anditsstandard heatofformation(驻H 苓 f)is458kJ •mol -1 [17] . HydroxylOatomsandtriazolylringNatomshavegoodcoor鄄 dinationcapacities.Therefore,1,2,4鄄triazolehaspotentialbridg鄄 ingfashions(滋 1,2 , 滋 2,4 ,and 滋 1,2,4 )andstrongcoordinationcapabili鄄 tiestobridgetransitionmetalions [18] .Tothebestofourknowl鄄 edgeinpublishedstudieson1,2,4鄄triazole鄄basedenergeticcom鄄 plexes,theligandshavebeenlimitedto1,2,4鄄triazol鄄5鄄one [19][20] ,3鄄 nitro鄄1,2,4鄄triazol鄄5鄄one [21][22][23][24] ,and4鄄 amino鄄1,2,4鄄triazol鄄5鄄one [25] .…”