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Theoretical and Experimental Study of the α‐ and β‐ Phase of Diammonium 5,5′‐Bistetrazole‐1,1′‐Diolate (ABTOX)

机译：二醇5,5'-双四唑-1,1'-二氢盐（ABTOX）α-和β-阶段的理论和实验研究

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Abstract > Two new phase of diammonium 5,5′‐bistetrazole‐1,1′‐diolate ( α‐ and β‐ ABTOX) were prepared, and its structure were characterized by FT‐IR spectroscopy and single X‐ray diffraction. The thermal decomposition processes of α‐ and β‐ ABTOX were studies by means of the DTA‐TG and TG‐MS technologies, the crystal morphology of α‐ and β‐ ABTOX were studied by SEM technology. The results show thermal stability of α ‐ABTOX is better than β ‐ABTOX, the crystal morphology of α‐ and β‐ ABTOX are rhombus and square. Finally, front orbital energies and the molecular electronic potential (MEP) of α‐ and β‐ ABTOX were studied using density functional theory (DFT) B3LYP/6‐311G(d, p) basis set level. </abstract> </span> <span class="z_kbtn z_kbtnclass hoverxs" style="display: none;">展开▼</span> </div> <div class="translation abstracttxt"> <span class="zhankaihshouqi fivelineshidden" id="abstract"> <span>机译：</span><Abstract Type =“Main”XML：Lang =“en”> <标题类型=“main”>抽象</ title> > 二醇的二阶段5,5'-双级四唑-1,1'-二氢盐（ α - </ i> 和 β - </ i> 制备ABTOX），其结构的特征在于FT-IR光谱和单X射线衍射。热分解过程 α - </ i> 和 β - </ i> Abtox通过DTA-TG和TG-MS技术进行研究，晶体形态 α - </ i> 和 β - </ i> 通过SEM技术研究了ABTOX。结果显示了热稳定性 α</ i> -Abtox比 β</ i> -Abtox，晶体形态 α - </ i> 和 β - </ i> Abtox是菱形和广场。最后，前轨道能量和分子电子潜力（MEP） α - </ i> 和 β - </ i> 使用密度函数理论（DFT）B3LYP / 6-311G（D，P）基础设定水平研究ABTOX。 </ p> </摘要> </span> <span class="z_kbtn z_kbtnclass hoverxs" style="display: none;">展开▼</span> </div> </div> <div class="record"> <h2 class="all_title" id="enpatent33" >著录项</h2> <ul> <li> <span class="lefttit">来源</span> <div style="width: 86%;vertical-align: text-top;display: inline-block;"> <a href='/journal-foreign-29946/'>《Propellants, Explosives, Pyrotechnics》</a> <b style="margin: 0 2px;">|</b><span>2020年第3期</span><b style="margin: 0 2px;">|</b><span>共7页</span> </div> </li> <li> <div class="author"> <span class="lefttit">作者</span> <p id="fAuthorthree" class="threelineshidden zhankaihshouqi"> <a href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=Wang Xiao Jun&option=202" target="_blank" rel="nofollow">Wang Xiao Jun;</a> <a href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=Zhang Xiao Peng&option=202" target="_blank" rel="nofollow">Zhang Xiao Peng;</a> <a href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=Wang Xia&option=202" target="_blank" rel="nofollow">Wang Xia;</a> <a href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=Lu Zhi Yan&option=202" target="_blank" rel="nofollow">Lu Zhi Yan;</a> <a href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=Shang Feng Qin&option=202" target="_blank" rel="nofollow">Shang Feng Qin;</a> <a href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=Zhao Yun&option=202" target="_blank" rel="nofollow">Zhao Yun;</a> </p> <span class="z_kbtnclass z_kbtnclassall hoverxs" id="zkzz" style="display: none;">展开▼</span> </div> </li> <li> <div style="display: flex;"> <span class="lefttit">作者单位</span> <div style="position: relative;margin-left: 3px;max-width: 639px;"> <div class="threelineshidden zhankaihshouqi" id="fOrgthree"> <p>Research Institute of Gan Su Yin Guang Chemical Industry GroupBaiyin China;</p> <p>Research Institute of Gan Su Yin Guang Chemical Industry GroupBaiyin China;</p> <p>Research Institute of Gan Su Yin Guang Chemical Industry GroupBaiyin China;</p> <p>Research Institute of Gan Su Yin Guang Chemical Industry GroupBaiyin China;</p> <p>Research Institute of Gan Su Yin Guang Chemical Industry GroupBaiyin China;</p> <p>Coll. of Chemical EngineeringQing Hai UniversityXining China;</p> </div> <span class="z_kbtnclass z_kbtnclassall hoverxs" id="zhdw" style="display: none;">展开▼</span> </div> </div> </li> <li > <span class="lefttit">收录信息</span> <span style="width: 86%;vertical-align: text-top;display: inline-block;"></span> </li> <li> <span class="lefttit">原文格式</span> <span>PDF</span> </li> <li> <span class="lefttit">正文语种</span> <span>eng</span> </li> <li> <span class="lefttit">中图分类</span> <span><a href="https://www.zhangqiaokeyan.com/clc/1837.html" title="爆炸物工业、火柴工业">爆炸物工业、火柴工业;</a></span> </li> <li class="antistop"> <span class="lefttit">关键词</span> <p style="width: 86%;vertical-align: text-top;"> <a style="color: #3E7FEB;" href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=diammonium 5&option=203" rel="nofollow">diammonium 5;</a> <a style="color: #3E7FEB;" href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=5′-bistetrazole-1&option=203" rel="nofollow">5′-bistetrazole-1;</a> <a style="color: #3E7FEB;" href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=1′-diolate (ABTOX)&option=203" rel="nofollow">1′-diolate (ABTOX);</a> <a style="color: #3E7FEB;" href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=crystal structures&option=203" rel="nofollow">crystal structures;</a> <a style="color: #3E7FEB;" href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=thermal stabilities&option=203" rel="nofollow">thermal stabilities;</a> <a style="color: #3E7FEB;" href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=molecular electronic potential&option=203" rel="nofollow">molecular electronic potential;</a> </p> <div class="translation"> 机译：二醇5;5'-双四唑-1;1'-二硫酸盐（ABTOX）;晶体结构;热稳定性;分子电子潜力; </div> </li> </ul> </div> </div> <div class="literature cardcommon"> <div class="similarity "> <h3 class="all_title" id="enpatent66">相似文献</h3> <div class="similaritytab clearfix"> <ul> <li class="active" >外文文献</li> <li >中文文献</li> <li >专利</li> </ul> </div> <div 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J. </a> <span>2015</span> </span> </div> <p class="zwjiyix translation" style="max-width: initial;height: auto;word-break: break-all;white-space: initial;text-overflow: initial;overflow: initial;"> <span>机译：形成热，密度和相对灵敏度的理论预测，和/或合成高能量密集材料（HEDms）的合成方法：3,5-二硝基-1,3,5-恶二唑烷，双相邻RDX，Bis - 相邻的HmX，4,4'，6,6'-四硝基-1,1'-双（N-氧化物）-5,5'，6,6'-4H，4'H-5,5'-双咪唑恶二唑和CL-20的开笼衍生物。</span> </p> </li> </ul> <ul style="display: none;"> <li> <div> <b>1. </b><a class="enjiyixqcontent" href="/academic-journal-cn_chinese-journal-explosives-propellants_thesis/0201227170029.html">1，1′-二羟基-5，5′-联四唑二羟胺盐理论爆速的计算</a> <b>[J]</b> <span> <a href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=张为鹏&option=202" target="_blank" rel="nofollow" class="tuijian_auth tuijian_authcolor"> . 张为鹏</a> <a href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=毕福强&option=202" target="_blank" rel="nofollow" class="tuijian_auth tuijian_authcolor">,毕福强</a> <a href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=王永顺&option=202" target="_blank" rel="nofollow" class="tuijian_auth tuijian_authcolor">,王永顺</a> <span> <a href="/journal-cn-8327/" target="_blank" rel="nofollow" class="tuijian_authcolor"> . 火炸药学报 </a> </span> <span> . 2015</span><span>,第006期</span> </span> </div> </li> <li> <div> <b>2. </b><a class="enjiyixqcontent" href="/academic-journal-cn_chinese-journal-energetic-materials_thesis/0201227066026.html">1,1'-二羟基-5,5'-联四唑二羟胺盐及碱金属盐的合成、溶解度测定及关联</a> <b>[J]</b> <span> <a href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=许诚&option=202" target="_blank" rel="nofollow" class="tuijian_auth tuijian_authcolor"> . 许诚</a> <a href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=毕福强&option=202" target="_blank" rel="nofollow" class="tuijian_auth tuijian_authcolor">,毕福强</a> <a href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=张敏&option=202" target="_blank" rel="nofollow" class="tuijian_auth tuijian_authcolor">,张敏</a> <span> <a href="/journal-cn-8325/" target="_blank" rel="nofollow" class="tuijian_authcolor"> . 含能材料 </a> </span> <span> . 2015</span><span>,第003期</span> </span> </div> </li> <li> <div> <b>3. </b><a class="enjiyixqcontent" href="/academic-journal-cn_acta-armamentarii_thesis/0201226904981.html">1,1'-二氧基-5,5'-联四唑双三氨基胍盐合成及其分子构型和爆轰性能的量子化学预估</a> <b>[J]</b> <span> <a href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=荆苏明&option=202" target="_blank" rel="nofollow" class="tuijian_auth tuijian_authcolor"> . 荆苏明</a> <a href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=刘玉存&option=202" target="_blank" rel="nofollow" class="tuijian_auth tuijian_authcolor">,刘玉存</a> <a href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=刘登程&option=202" target="_blank" rel="nofollow" class="tuijian_auth tuijian_authcolor">,刘登程</a> <span> <a href="/journal-cn-8314/" target="_blank" rel="nofollow" class="tuijian_authcolor"> . 兵工学报 </a> </span> <span> . 2015</span><span>,第003期</span> </span> </div> </li> <li> <div> <b>4. </b><a class="enjiyixqcontent" href="/academic-journal-cn_initiators-pyrotechnics_thesis/0201278402695.html">1,1'-二羟基-5,5'-联四唑二草酰二肼盐的晶体结构及性能研究</a> <b>[J]</b> <span> <a href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=马英杰&option=202" target="_blank" rel="nofollow" class="tuijian_auth tuijian_authcolor"> . 马英杰</a> <a href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=姚小龙&option=202" target="_blank" rel="nofollow" class="tuijian_auth tuijian_authcolor">,姚小龙</a> <a href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=叶丹阳&option=202" target="_blank" rel="nofollow" class="tuijian_auth tuijian_authcolor">,叶丹阳</a> <span> <a href="/journal-cn-8322/" target="_blank" rel="nofollow" class="tuijian_authcolor"> . 火工品 </a> </span> <span> . 2019</span><span>,第006期</span> </span> </div> </li> <li> <div> <b>5. </b><a class="enjiyixqcontent" href="/academic-journal-cn_chinese-journal-energetic-materials_thesis/0201227054441.html">1,1'-二羟基-5,5'-联四唑-二氨基乙二肟(DAGBTO)富氮含能盐的合成、晶体结构及热性能</a> <b>[J]</b> <span> <a href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=张至斌&option=202" target="_blank" rel="nofollow" class="tuijian_auth tuijian_authcolor"> . 张至斌</a> <a href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=张建国&option=202" target="_blank" rel="nofollow" class="tuijian_auth tuijian_authcolor">,张建国</a> <a href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=秦涧&option=202" target="_blank" rel="nofollow" class="tuijian_auth tuijian_authcolor">,秦涧</a> <span> <a href="/journal-cn-8325/" target="_blank" rel="nofollow" class="tuijian_authcolor"> . 含能材料 </a> </span> <span> . 2016</span><span>,第005期</span> </span> </div> </li> <li> <div> <b>6. </b><a class="enjiyixqcontent" href="/academic-conference-cn_meeting-42822_thesis/020222864187.html">高氮1,1'-二羟基-5,5'-偶氮四唑-3,4-二氨基-1,2,4-三唑含能离子盐(DATr·AZO)：合成及性能研究</a> <b>[C]</b> <span> <a href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=张至斌&option=202" target="_blank" rel="nofollow" class="tuijian_auth tuijian_authcolor"> . 张至斌</a> <a href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=ZHANG Zhi-bin&option=202" target="_blank" rel="nofollow" class="tuijian_auth tuijian_authcolor">,ZHANG Zhi-bin</a> <a href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=殷昕&option=202" target="_blank" rel="nofollow" class="tuijian_auth tuijian_authcolor">,殷昕</a> <span> <a href="/conference-cn-42822/" target="_blank" rel="nofollow" class="tuijian_authcolor"> . 2016年第七届含能材料与钝感弹药技术学术研讨会 </a> <span> <span> . 2016</span> </span> </div> </li> <li> <div> <b>7. </b><a class="enjiyixqcontent" href="/academic-degree-domestic_mphd_thesis/020313829642.html">基于5,5'-联四唑-1,1'-二羟基类含能离子盐晶体性能的量化计算与理论研究</a> <b>[A] </b> <span> <a href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=钱燕燕&option=202" target="_blank" rel="nofollow" class="tuijian_auth tuijian_authcolor"> . 钱燕燕</a> <span> . 2019</span> </span> </div> </li> </ul> <ul style="display: none;"> <li> <div> <b>1. </b><a class="enjiyixqcontent" href="/patent-detail/06120108207453.html">5,5’-双四唑-1,1’-二氧金属盐的合成方法</a> <b>[P]</b> . <span> 中国专利： CN105732532A </span> <span> . 2016-07-06</span> </div> </li> <li> <div> <b>2. </b><a class="enjiyixqcontent" href="/patent-detail/061202829788.html">1,1′‑二(偕二硝甲基)‑3,3′‑二硝基‑5,5′‑联‑1,2,4‑三唑双羟胺盐</a> <b>[P]</b> . <span> 中国专利： CN104649984B </span> <span> . 2018.04.20</span> </div> </li> <li> <div> <b>3. </b><a class="enjiyixqcontent" href="/patent-detail/06130419158222.html">Energetic active composition, useful as an explosive, comprises a dihydroxylammonium salt or diammonium salt of 5,5'-bistetrazole-1,1'-diol, 5,5'-bistetrazole-1,2'-diol and/or 5,5'-bistetrazole-2,2'-diol</a> <b>[P]</b> . <span> 外国专利：  DE102011120745A1 </span> <span> . 2013-06-13</span> </div> <p class="zwjiyix translation" style="max-width: initial;height: auto;word-break: break-all;white-space: initial;text-overflow: initial;overflow: initial;"> <span>机译：用作炸药的高能活性组合物包含5,5'-双四唑-1,1'-二醇，5,5'-双四唑-1,2'-二醇和/或5,5的二羟基铵盐或二铵盐'-双四唑-2,2'-二醇 </span> </p> </li> <li> <div> <b>4. </b><a class="enjiyixqcontent" href="/patent-detail/06130419174696.html">Energetic active mass, useful as an explosive, comprises a dihydroxylammonium salt or diammonium salt of 5,5'-bistetrazol-1,1'-diol, 5,5'-bistetrazol-1,2'-diol, or 5,5'-bistetrazol-2,2'-diol or a mixture of at least two of these salts</a> <b>[P]</b> . <span> 外国专利：  DE102011081254A1 </span> <span> . 2013-02-21</span> </div> <p class="zwjiyix translation" style="max-width: initial;height: auto;word-break: break-all;white-space: initial;text-overflow: initial;overflow: initial;"> <span>机译：用作炸药的高能活性物质包括5,5'-双四唑-1,1'-二醇，5,5'-双四唑-1,2'-二醇或5,5'的二羟基铵盐或二铵盐-双四唑-2,2'-二醇或这些盐中至少两种的混合物 </span> </p> </li> </ul> </div> </div> </div> <div class="theme cardcommon" style="overflow: auto;display:none"> <h3 class="all_title" id="enpatent55">相关主题</h3> <ul id="subject"> </ul> </div> </div> </div> </div> <div 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