Ab initio infra-red spectra of iron-polycyclic aromatic hydrocarbon compounds: a model case

C₁₀H₆-Fe⁺ complexes were observed by Fourier transform mass spectrometry by Marty et al. (Chem. Phys. Lett. 256 (1996) 669). In this article, we present the infra-red (IR) spectra of the two isomers calculated by ab initio methods of quantum chemistry. In the past, the same approach has predicted successfully unexpected features of the IR spectra of polycyclic aromatic hydrocarbon (PAH) cations which were confirmed by measurements in matrices (J. Phys. Chem. 98 (1994) 9187). The C₁₀H₆-Fe⁺ systems are models for larger PAHs-Fe⁺ complexes, which are believed to play a key rôle in space chemistry.     

胜利油气区有机包裹体研究及其在油气勘探中的应用

应用显微光度术、显微傅立叶红外光谱（Ｍｉｃｒｏ－ＦＴ．ＩＲ）和飞行时间二次离子质谱（ＴＯＦ－ＳＩＭＳ）等原位微分析技术并结合均一温度测量对胜利油气区下第三系沙河街组沙三段中有机包裹体进行了研究。区分出两类有机包裹体，即原生有机包裹体和次生有机包裹体。结果表明两类有机包裹体特征不同，二者物质组成、有机质成分及化学结构、热演化程度等差别也较大。结合地质分析表明原生有机包裹体是沙三段烃源岩生成烃类运移产物，具“自生自储”特点，而次生有机包裹体是沙四段烃源岩生成的烃类二次运移的产物。沙三段是沙河街组油气运移和聚集的主要层位，因而是寻找油气资源的主要目标层。研究表明，有机包裹体是研究油气生成、运移、聚集和演化等成藏系统最有效的手段之一，在油气勘探中有重要的应用意义。     

Anhydrite pseudomorphs and the origin of stratiform Cu–Co ores in the Katangan Copperbelt (Democratic Republic of Congo)

The stratiform Cu–Co ore mineralisation in the Katangan Copperbelt consists of dispersed sulphides and sulphides in nodules and lenses, which are often pseudomorphs after evaporites. Two types of pseudomorphs can be distinguished in the nodules and lenses. In type 1 examples, dolomite precipitated first and was subsequently replaced by Cu–Co sulphides and authigenic quartz, whereas in type 2 examples, authigenic quartz and Cu–Co sulphides precipitated prior to dolomite and are coarse-grained. The sulphur isotopic composition of the copper–cobalt sulphides in the type 1 pseudomorphs is between −10.3 and 3.1‰ relative to the Vienna Canyon Diablo Troilite, indicating that the sulphide component was derived from bacterial sulphate reduction (BSR). The generation of during this process caused the precipitation and replacement of anhydrite by dolomite. A second product of BSR is the generation of H₂S, resulting in the precipitation of Cu–Co sulphides from the mineralising fluids. Initial sulphide precipitation occurred along the rim of the pseudomorphs and continued towards the core. Precipitation of authigenic quartz was most likely induced by a pH decrease during sulphide precipitation. Fluid inclusion data from quartz indicate the presence of a high-salinity (8–18 eq. wt.% NaCl) fluid, possibly derived from evaporated seawater which migrated through the deep subsurface. ⁸⁷Sr/⁸⁶Sr ratios of dolomite in type 1 nodules range between 0.71012 and 0.73576, significantly more radiogenic than the strontium isotopic composition of Neoproterozoic marine carbonates (⁸⁷Sr/⁸⁶Sr = 0.7056–0.7087). This suggests intense interaction with siliciclastic sedimentary rocks and/or the granitic basement. The low carbon isotopic composition of the dolomite in the pseudomorphs (−7.02 and −9.93‰ relative to the Vienna Pee Dee Belemnite, V-PDB) compared to the host rock dolomite (−4.90 and +1.31‰ V-PDB) resulted from the oxidation of organic matter during BSR.     

土壤中氟的形态分析

以宁夏盐池地区高氟土壤为例,采用连续提取法对土壤样品中各形态氟进行提取,离子色谱法测定各形态氟的含量。根据研究目的及土壤特点将氟的形态划分为水溶态、离子交换态、可还原态、可氧化态及残渣态5种形态;对各种形态连续提取过程中使用的提取液进行了选择。采用建立的方法获得提取土壤中F-的检出限为0.76μg/g;方法精密度(RSD,n=7)各形态氟为水溶态氟11.3%,离子交换态氟13.5%,可还原态氟10.7%,可氧化态氟8.9%。     

内蒙古正蓝旗羊蹄子山-磨石山钛矿区硅质岩地球化学特征及沉积环境意义

文章通过详细的野外地质调查和系统的岩石化学、稀土元素、微量元素及硅、氧同位素等研究,探讨了羊蹄子山-磨石山钛矿区无矿白色硅质岩和富钛硅质岩的成因及形成地质构造环境。研究结果表明,呈厚层状产出的无矿白色硅质岩具较高的SiO2、Al2O3含量及Al/(Al Fe Mn)、Al2O3/(Al2O3 Fe2O3)比值,稀土元素总量很低,其北美页岩标准化配分模式为向右倾的曲线,无明显铈异常和铕异常,表明其形成于受陆源影响的大陆边缘构造环境;赋矿岩系中薄层状富钛硅质岩的TiO2、Fe2O3、Cu、V含量较高,但Al/(Al Fe Mn)、Al2O3/(Al2O3 Fe2O3)比值较低,稀土元素总量较高,北美页岩标准化曲线为明显左倾型-平坦型,具弱的负铈异常,表明其形成于洋脊及附近环境。两种硅质岩的δ30Si值为变化较小的负值,与热水沉积和某些生物成因硅质岩的硅同位素组成相似,两者的δ18O值范围和平均值均相似。两类硅质岩的成因及形成构造环境不同,富钛硅质岩的地球化学特征表明,该矿床的形成与本区元古宙海底火山热液喷流作用有关。     

Trace elements in groundwater as indicators of anthropogenic impact

The distribution of several minor and trace elements mainly in fresh (dominating TDS 160–400 mg/l) groundwater of Latvia have been investigated by the Inductively Coupled Plasma-Mass Spectrometry (ICP-MS) technique. An evaluation of results of about 700 analyses leads to the conclusion that concentrations of these elements is influenced by: pH–Eh conditions, groundwater residence time and diffuse contamination, whereas the role of water-bearing sediments is of secondary importance. Most trace elements are characterised by low mobility under alkaline and reducing conditions; concentrations in confined aquifers are much smaller than the Maximum Permissible Values for drinking water. The strongest anomalies of REE, Al and P were found in shallow groundwater around the former agrochemical storehouses.     

Magma Ascent and Crustal Accretion at Ultraslow-Spreading Ridges: Constraints from Plagioclase Ultraphyric Basalts from the Arctic Mid-Ocean Ridge

Plagioclase ultraphyric basalts (PUBs) with up to 54% plagioclasephenocrysts were dredged in the rift valley and adjacent flanksof the ultraslow-spreading Mohns and Knipovich ridges. The PUBsshow large variations in crystal morphologies and zoning. Thelarge variations suggest that single basalt samples containa mixture of plagioclase crystals that aggregated at differentlevels in the magma conduits. Resorbed crystals and repeatedreverse zones suggest that the magma reservoirs were replenishedand heated several times. Thin concentric zones with melt inclusions,and sharp reductions in the anorthite content of 3–7%,are common between the reverse zones. These zones, and skeletalcrystals with distinctly lower anorthite contents than massivecrystals, are interpreted to be the result of rapid crystalliztionduring strong undercooling. The changes between short periodsof cooling and longer periods with reheating are explained bymultiple advances of crystal-rich magma into cool regions followedby longer periods of gradual magma inflow and temperature increase.The porphyritic basalts are characterizd by more depleted andmore fractionated compositions than the aphyric basalts, withlower (La/Sm)_N, K₂O and Mg-numbers. This relationship, and theobservation that PUBs are sampled only close to segment centresalong these ridges, suggests that the PUBs formed by higherdegrees of melting and evolved in more long-lived magma reservoirs.We propose that the zoning patterns of plagioclase crystalsand crystal morphologies of these PUBs reflect the developmentand flow of magma through a stacked sill complex-like conduitsystem, whereas the aphyric equivalents represent later flowof magma through the conduit. The formation of voluminous higher-degreemelts may trigger the development of the magma conduits andexplain the generally depleted compositions of PUB magmas. KEY WORDS: basalt; mineral chemistry; MORB; magma mixing; magma chamber; major element     

陕西白河县月儿潭绿松石与次生磷钙铝矾研究

对陕西省白河县月儿潭风化严重的绿松石样品进行了岩石薄片观察、化学成分测试、X射线粉晶衍射和红外吸收光谱分析等研究.结果表明,绿松石风化分解由天蓝色退色成黄绿色,最后变成白色,结构也由致密细腻变得松散多孔,主要原因是发生了硫酸根对磷酸根的交代作用,最终的交代产物主要是磷钙铝矾.     

青岛胶州湾地区重大工程建设项目设计的地质基础

本文以青岛胶州湾地区的基本地质条件为基础，分析研究了该地区地质基础对重大工程建设项目设计的影响，提出了青岛市重大工程项目设计的基本原则和对城市整体规划的具体建议。     

海水中234Th的超低水平液闪谱仪测定

本文提出了利用超低水平液闪谱仪测定海水中234Th的方法.海水经氢氧化铁吸附共沉淀富集后,接着用阴离子交换和TBP/煤油萃取进行Th同位素的分离与纯化.对一系列测定条件进行了详细的研究,提出了测定海水中234Th的适宜程序,即在含有234Th和产额示踪剂230Th的纯化后的5mol/dm3HNO3溶液中加入TBP/煤油进行萃取,然后用0.1mol/dm3HNO3反萃取,后者是先用契伦柯夫计数法测量234Th(通过234mPa),后加入闪烁液Hisafe 3用α/β模式测量α放射体230Th.对于α和β放射体液闪谱仪的计数效率分别为100%和55.7%±2.7%.234Th的化学回收率和总探测效率分别为70%～80%和30%～45%.该法测定海水中的234Th快速、简便和高效.