Ab initio characterization of MgCCH, MgCCH+, and MgC2 and pathways to their formation in the interstellar medium

A study of Mg-bearing compounds has been performed in order to determine molecular properties which are critical for planning new astronomical searches and laboratory studies. The primary focus of the work is on MgCCH, MgCCH+, and the isomers of MgC2. Only MgCCH has been identified in laboratory studies. Additional calculations have been carried out on MgH, MgNC, MgCN, and their cations in an effort to evaluate pathways to the formation of MgCCH and MgCCH+ in the interstellar medium (ISM) or in circumstellar envelopes. Correlated ab initio methods and correlation-consistent basis sets have been employed. Properties including structures, rotational constants, dipole moments, and harmonic frequencies are reported. A transition state between linear MgCC and cyclic MgC2 has been characterized and was found to yield a minimal barrier (approximately 0.5 kcal mole-1), indicating easy interconversion to the cyclic form. Direct reactions in the ISM between Mg or Mg+ and HCCH are precluded by energetic considerations, but a number of ion-molecule or neutral-neutral exchange reactions between CCH and various Mg-containing species offer plausible pathways to MgCCH or MgCCH+. Weakly bound MgH may react with CCH to form MgCCH, but MgH has not been detected. Both MgNC and MgCN have been observed, but reactions with CCH are slightly endothermic by 1-3 kcal mole-1. Although MgH+, MgNC+, and MgCN+ have not been detected, their reactions with CCH to form MgCCH+ are all exothermic. With only a small barrier separating linear MgCC and cyclic MgC2, the dissociative recombination of MgCCH+ with an electron is expected to yield cyclic MgC2 and regenerate Mg and CCH. New astronomical searches for MgCCH, MgCCH+, cyclic MgC2, MgNC+, and MgCN+ will provide further insight into organo-magnesium astrochemistry.     

对土的抗剪强度指标（直剪试验）确定方法的研究

本文分析了图解法求Ｃ、Φ值的不科学性及非唯一性，（ＧＢ１７－８９）规范推荐方法求Ｃ、Φ值的进步（唯一性）及不足（机械性），并提出了采用最小相对误差绝对值来确定Ｃ、Φ值的新方法，提高了Ｃ、Φ值的可信度。     

济阳坳陷下第三系湖相生油岩的微观特征

利用背散射电子成像技术、扫描电镜和能谱分析对山东济阳坳陷下第三系主要湖相生油岩的微观组构、成分特征进行了高分辨率的观察和分析,同时对其中藻类化石丰度进行了定量统计。结果显示,这些生油岩既有共性又有显著的差异。共性表现在它们都具有纹层状构造,而且有机质都特别丰富,呈纹层分布。差异性表现在纹层单元的成分明显不同:富有机质纹层页岩由有机质纹层和粘土矿物纹层组成;钙质纹层页岩则有两种情况:一类由有机质纹层和钙质超微化石纹层组成,另一类由有机质纹层和粗粒方解石纹层组成,粗粒方解石中含有钙质超微化石;钙质纹层泥岩由细粒方解石纹层和含有机质的粘土矿物纹层组成。生油岩中有机质的分布也有两种形式:一类是有机质纹层,另一类则是藻类化石层,如沟鞭藻化石层和钙质超微化石 (颗石藻 )层.     

从小构造和P-T-t轨迹得出的板块构造控制因素:西班牙东南部Betic Cordileras研究实例

西班牙东南部Betic Corcieras地区的内带是由几个具有不同P-T-t演化特征的叠加推覆体组成。基于野外和实验室的综合研究,能够建立Mulhacen杂岩体和Almanzora岩石单元的P-T-t轨迹和变形模式(图1)。     

法国比利牛斯(Saint-Barthelamy地块)拉伸型剪切带中的韧性应变与变质作用

Saint-Barthelemy地块位于Nolth Frenean断层北部,它形成于海西运动时期,并在后期始新世比利牛斯运动期间逆冲到周围中生代沉积物之上。本文主要讨论地块的内部构造,并集中讨论海西后至比利牛斯前这一段时期的构造。已经查明在这一时期有拉伸构造。该地块最显著的特点之一就是MMB(主糜棱岩带)(Passchier,1982)、MMB将古生代岩石构成的上盘(自底部至顶部:混合岩、寒武-志留云母片岩及泥盆-石碳变质沉积岩系)与片麻岩构成的下盘分隔开来,后者遭受到300Ma的麻粒岩相变质作用。 MMB走向NlloE,倾向200N,厚约100m。它由几条叠加带构成。每条带内都含     

大兴安岭北部雄关地区倭勒根岩群大网子岩组火山岩地球化学特征

雄关地区的倭勒根岩群大网子岩组主要为变碎屑岩夹变流纹岩和变粗面安山岩.利用ICP-MS仪器对变粗面安山岩进行锆石U-Pb年龄测定，结果显示变粗面安山岩锆石²⁰⁶Pb/²³⁸U年龄为443.8~783.8 Ma，获得ICP-MS锆石U-Pb同位素谐和年龄为463.7±2.1 Ma，加权平均年龄为463.6±6.4 Ma（ⁿ=10，MSWD=0.073）.所测锆石振荡环带较发育，Th/U值一般为0.42~1.76，具有岩浆成因特征.该年龄代表粗面安山岩形成年龄，认为其形成于中奥陶世，与区域大网子岩组形成时代（寒武纪-早志留世）一致.大网子岩组粗面安山岩属碱钙系列准铝质岩石，铕异常不显著，相对亏损高场强元素，富集大离子亲石元素.岩石具有壳幔混源特征，形成于陆缘环境，与古亚洲洋壳俯冲有关.