《专业英语选读》PPT课件.ppt

化 学 信 息 学主讲：杨正银教授,一.讲授内容第一编：化学专业英语1.化学物质命名2.专业英语选读和英文摘要第二编：化学信息学1.绪论2.印刷版CA查阅3.化学信息资源数据库4.分子的线性表示5.常用化学软件介绍6.数据分析7.CA检索实习,二.本课程应达到的目标,1.能认识常见的化合物英文名，会写英文名和摘要2.会查印刷版CA.3.至少掌握两个化学信息资源数据库 能通过Internet检索电子文献.4.学会常见1-2种化学软件使用方法.5.掌握化学信息学基本概念。6.掌握一元数据分析方法，了解分子的线性表示。,三.参考书,1.化学信息学教程，Gasteiger,J and Engel,T编著（德文）（梁逸曾，徐峻，姚建华等译），化工出版社，2005年2.化学专业英语，马永祥等编，兰大出版社，1997年3.化学信息学，邵学广和蔡文生编 科学出版社，2002年,几点要求:认真抄笔记!不许随便缺课,课堂作业记作平时成绩!缺课者课后补交课堂作业不计成绩,如果有人代别人抄课堂作业,一旦发现全部记作零分!,Chapter I.Nomenclature of compounds,Section I.Inorganic compounds,一.NAME OF THE ELEMENTS,1997年8月27日，国际纯粹和应用化学联合会发表正式文件，对101109号元素重新定名。我国在收到国际纯粹和应用化学联合会的文件以后，经全国名词委员会化学名词审定分委员会研究，决定重新拟定101109号元素的中文名称。104号元素定名为rutherfordium，元素符号Rf，是为纪念卢瑟福而设；105号元素定名为dubnium，元素符号Db，是为纪念前苏联杜布纳研究所在合成该元素时作出过重要贡献；106号元素定名为seaborgium，元素符号Sg，是为纪念西(喜)博格而设；107号元素定名为bohrium，元素符号Bh，是为纪念玻尔而设。,108号元素 108号元素是1984年在德国达姆施塔特的GSI（德国重离子研究中心）首次发现的,所以其名字叫Hassium,Hs来自拉丁文Hassias,意思是 Hesse,中文译名为黑森,是达姆施塔特所在的德国一个州的州名。现在,来自GSI和9个其他实验室的一个国际科研小组报告了对元素Hassium所做的首次化学研究。准确地说,这些化学研究是在7个Hassium原子上进行的，这些原子是通过镁-26和锔-248的聚变反应每次一个地生成的。Hassium形成一种挥发性氧化物，类似于其同族较轻的锇元素的氧化物,这证实Hassium的行为与预料中元素周期表中第8族成员的行为一致。Hassium是迄今其化学性质被研究过的最重的元素，这些发现将把对关于元素周期表的预测的实验验证推进到了108号元素。,109号元素1982年8月29日，西德科学家宣布发现了第109号化学元素。第109号元素是人工制造的超铀元素，化学符号109或Une。是西德核子研究中心的明岑贝格科学小组用加速器加速的铁离子轰击铋靶合成的，质量数为266。在长达一星期的轰击合成实验中，只获得了一个新元素原子。他们用测量266109的衰变链子体的方法，最终确证109号元素的合成。1994 年 5 月 IUPAC 通过一项决议，建议把第 109 号元素命名为 Meitnerium，以纪念奥地利女核物理学家 Lise Meitner（莉泽迈特纳）。第109号化学元素的中文名字为Mt（由中国科学技术名词审定委员会化学名词审定分委员会审定予以公开使用）。,110号元素 110号元素由德国物理学家安布鲁斯特(Armbrster）领导的研究小组，用镍原子轰击作为靶的铅原子的方法，并从产物中检测到110号元素的存在，该元素的寿命极短，半衰期少于1毫秒。安布鲁斯特领导的研究小组为新元素的发现作出了贡献。他们的重离子研究实验室位于德国达姆施塔特（Darmstadt）城，故该小组向IUPAC提交了新元素名称和符号的申请，并遵循IUPAC的命名方法，将他们所在的城市名称加后缀“ium”作为该元素的名称。其符号采用了全称中的两个字母。这个申请在2003年8月16日，在加拿大渥太华召开的IUPAC第42届大会上，得到正式推荐。将第110号元素的英文名称正式确定为Darmstadtium，元素符号为Ds。中文名。,111号元素 经过长期审定2003年10月15日国际理论和应用化学联合会认定，德国达姆施塔特重离子研究所的科学家发现了第111号元素。重离子研究所的科学家西古德霍夫曼与同事早在1994年就利用镍元素和铋元素进行对撞实验，观测到了三个衰变系，据此发现了第111号元素的存在。IUPAC 2004年颁布第111号化学元素符号为Rg，名称为roentgenium。命名理据是为纪念发现X射线（亦称“伦琴射线”）的科学家Wilhelm Conrad Roentgen。第111号化学元素的中文定名读音为ln；字形采用“钅仑”。,第112号元素早在1996年，德国重离子研究中心（GSI）的西格德霍夫曼教授领导的国际研究小组就利用重离子研究中心的120英里粒子加速器创造了第112号元素的第一个原子，他们用锌离子轰击铅靶，锌铅原子核经过聚变反应融合形成新元素的原子核。2002年，他们已能生产出另一个原子。随后日本理化研究所的加速器实验生产出了更多的第112号元素原子，证明了重离子研究中心的发现。2010年2月19日哥白尼生日正式命名为“Copernicium”Cn,The first formal definition of chemoinformatics was that of Brown who stated that“The use of information technology and management has become a critical part of the drug discovery process.Chemoinformatics is the mixing of those information resources to transform data into information and information into knowledge for the intended purpose of making better decisions faster in the area of drug lead identification and optimization”,a definition that ties the subject very closely to the pharmaceutical industry where many of the key developments have taken place.A more general definition is that of Paris,as cited by Warr:“Chem(o)informatics is a generic term that encompasses the design,creation,organization,management,retrieval,analysis,dissemination,visualization and use of chemical information”.Most recently,Gasteiger has referred to it as“the application of informatics methods to the solution of chemical problems”.,化学信息学还没有统一的被广泛接受的定义及英文名称。目前最通用的为Chemoinformatics及Chemical informatics。也有用Cheminformatics，Chemi informatics。也有人把Chemical information Science及Molecular Informatics称为化学信息学。与化学信息学有关的术语有 chemi-informatics，chemometrics，computational chemistry，chemical informatics，chemical information management/science，和cheminformatics等等。美国印第安那大学(Indiana University)在国际上最早在化学图书馆科学的基础上开设化学信息课程及培养化学信息学研究生，他们把化学信息学定义为：化学信息学包括从利用传统的图书馆科学方法组织化学信息到利用现代计算机技术产生、存储、检索及可视化化学信息。,定义1：Frank Brown于1998年把化学信息学定义为：把各种化学信息源数据组合为信息，把信息提升为知识，其主要目的是在药物先导化合物的发现及优化领域快速地更好地做出决定。这个定义太偏重于药物化学，事实上，化学信息学在其他领域如农业化学也有广泛的应用。(“The use of information technology and management has become a critical(决定性的）part of the drug discovery process.Chemoinformatics is the mixing of those information resources to transform data into information and information into knowledge for the intended purpose of making better decisions faster in the area of drug lead identification and organization”FK Brown,Annual Reports in Medicinal Chemistry,33,375-384(1998),定义2：M.Hann 和R.Green 认为化学信息学是处理化学老问题的一种新名称（“Chemoinformatics-a new name for an old problem”，Current Opinion in Chemical Biology,3,379-383(1999)）。定义3：Greg Paris在1999年8月的ACS会议上提出了一个更一般性的定义，他认为：化学信息学是个一般的术语，它包括化学信息的设计、建立、组织、管理、检索、分析、判别、可视化及使用。(“Chem(o)informatics is a generic term that encompasses the design,creation,organization,management,retrieval,analysis,dissemination,visualization and use of chemical information”G.Paris(August 1999 ACS meeting)。,3.1 THE CHEMICAL ELEMENTS The number of protons in the nucleus of an atom is referred to as the atomic number,or proton number,Z.The number of electrons in an electrically neutral atom is also equal to the atomic number,Z.The total mass of an atom is determined very nearly by the total number of protons and neutrons in its nucleus.This total is called the mass number,A.The number of neutrons in an atom,the neutron number,is given by the quantity A-Z.The term element refers to a pure substance with atoms all of a single kind.To the chemist the“kind”of atom is specified by its atomic number,since this is the property that determines its chemical behavior.At present all the atoms from Z=1 to Z=107 are known;there are 107(112)chemical elements.Each chemical element has been given,化学元素的命名规律 化学元素的汉语名称的造字、读音一般都有其规律。在汉语里，化学元素的名称都是用一个汉字来表达的。有一些是沿用固有文字的，如，金、银、铜、铁、锡、铅等；有的是根据固有的字改变或增加偏旁而成为化学专用名称的，如镭、铑等；有的是从译音而创造的，如钠、锰、钙等；有的是译意的，如轻气、养气、淡气等，后来又演变成氢、氧、氮，仍保持原字的读音。为了便于识别，现在我国通用的化学元素汉语名称里，凡金属元素除汞外均写作“钅”字旁，非金属元素则依其单质在通常状态下存在状态，分别加“气”、“氵”或“石”等偏旁。化学元素的读音，一般都是按偏旁字来发音的。例如镁读作“美”，氟读作“弗”(f)，碘读作“典”等等。但也有不少例外，如氧读作“养”，钠读作“纳”，溴读作“嗅”。有些元素名称常被读错，例如，铬应读作“各”，却常误读为“洛”；氯应读“绿”(l)；却常误读为“碌”(l)；氙本应读“仙”，却常误读为“山”。,a name and a distinctive symbol.For most elements the symbol is simply the abbreviated form of the English name consisting of one or two letters,for example:Oxygen=O nitrogen=N neon=Ne magnesium=MgSome elements,which have been known for a long time,have symbols based on their Latin names,for example:iron=Fe(ferrum)copper=Cu(cuprum)lead=Pb(plumbum)A few elements have symbols based on the Latin name of one of their compounds,the elements themselves having been discovered only in relativey recent times,for example:Soidum=Na(natrium=sodium carbonate)Potassium=K(kalium=potassium carbonate),Gold Au(Aurum)Silver Ag(Argentum)Tin Sn(Stannum)Nickel Ni(Niccolum),化学元素的外文名称，在命名时，往往都是有一定含义的。有的是根据元素的某些特性而命名的，例如氧的拉丁文名称是Oxygenium，意思是“成酸的元素”；氮的拉丁文名称是Nitrogenium,意思是“无益于生命”；其他如氯Chlorine(绿色，因为氯是黄绿色气体)、溴Bromine(原意是恶臭)、铯Cesium(天蓝色的意思，因为铯的光谱线中有一条天蓝色谱线)。有的元素名称往往表示它是从什么物质里分离出来的。例如钠从苏打中来，定名Sodium，而拉丁文是Natrium；钾从草木灰中来，定名Potassium,而拉丁文是Kalium。,有的元素为纪念发现者的祖国、故乡而命名。例如，钋Po(Polonium，居里夫人的祖国波兰)、镓Ga(Gallium，镓的发现者布瓦博德朗是法国人，法国的古称是“家里亚”)、锗Ge(Germanium，德国)、钌Ru(Ruthenium，俄罗斯)、铕Eu(Europium，欧洲)、镅Am(Americium，美洲)，等等。有的元素以科学家的姓氏命名，以纪念某位科学家。例如，锔Cm(Curium，居里夫妇)、锿Es(Einsteinium，爱因斯坦)、钔Md(Mendelevium，门捷列夫)，等等。有以星球命名的化学元素，如：氦He(Helium，太阳，这是因为天文学家从观察太阳光的谱线最早发现太阳里有氦，尔后才在地球上找到氦)、铀U(Uranium，天王星的意思，这是因为铀的发现，正值天王星被发现后不久)，等等。,此外还有一些以“神”名命名的元素。如：钷Pm(Promethium，这个字来源于希腊神普罗米修斯，传说他从天上窃取火种送到人间。比喻从原子反应堆产物里得到钷，标志着人类进入了原子能时代)。自第103号元素铹Lr(纪念美国物理学家，回旋粒子加速器的发明者劳伦斯)以后，科学家对新元素的命名时而产生分歧意见，例如第104号元素，苏联人命名为Ku，借以纪念苏联核物理学家库尔查多夫，但美国人则命其名为Ru，借以纪念原子物理学家卢瑟福，以后还有第105号元素命名之争，结果这些元素的命名哪个也未取得国际科学界的公认。,A complete listing of the elements may be found in table 1.All atoms of a given element must have the same atomic number,but they may have different mass numbers.The different nuclides of an element are referred to collectively as isotopes of the element.In Section 2-7,where the discovery and characterization of isotopes was discussed,it was pointed out that there is one type of neon atom with a mass 22/20 as great as the predominant atomic species.Actually three different nuclides exist;there are three isotopes of neon,By symbol,these are 2010Ne,2110Ne,and 2210Ne.The natural abundances of these nuclides are 90.9,0.3 and 8.8%,respectively.Sometimes the mass numbers of isotopes are incorporated into the names of elements,such as neon-20,carbon-12 and oxygen-16.In a neutral atom the number of electrons must be equal to the number of protons,Z.But if an atom either loses or gains electrons,it acquires a net electric charge,it becomes an ion.The species 2010Ne+and 2010Ne2+are ions.The first one has ten protons,ten neutrons,and nine electrons,the second,ten protons,ten neutrons,and eight electrons.,1.THE NONMETAL ELEMENTS We noted earlier that nonmetals exhibit properties that are greatly different from those of the metals.As a rule,the nonmetals are poor conductors of electricity(graphitic carbon is an exception)and heat;they are brittle,are often intensely colored,and show an unusually wide range of melting and boiling points.Their molecular structures,usually involving ordinary covalent bonds,vary from the simple diatomic molecules of H2,Cl2,I2 and N2 to the giant molecules of diamond,silicon and boron.,The nonmetals that are gases at room temperature are the low-molecular weight diatomic molecules and the noble gases that exert very small intermolecular forces.As the molecular weight increases,we encounter a liquid(Br2)and a solid(I2)whose vapor pressures also indicate small intermolecular forces.Certain properties of a few nonmetals are listed in Table 2.,Table 2.Molecular weights and Melting Points of Certain Nonmetals Diatomic MoleculesMolecular Weight Melting Point ColorH22-259.1 NoneN228-210 NoneF238-223 Pale yellowO232-218 Pale blueCl271-102 Yellow-greenBr2160-7.3 Red-brownI2254 113 Gray-black,Simple diatomic molecules are not formed by the heavier members of Groups V and VI and at ordinary conditions.This is in direct contrast to the first members of these groups,N2 and O2.The difference arises because of the lower stability of bonds formed from p orbitals of the third and higher main energy levels as opposed to the second main energy level.The larger atomic radii and more dense electron clouds of elements of the third period and higher do not allow good parallel overlap of p orbitals necessary for a strong bond.This is a general phenomenonstrong bonds are formed only between elements of the second period.Thus,elemental nitrogen and oxygen form stable molecules with both and bonds,but other members of their groups form more stable structures based on bonds only at ordinary conditions.Note that Group VII elements form diatomic molecules,but bonds are not required for saturation of valence.,Sulfur exhibits allotropic forms.Solid sulfur exists in two crystalline forms and in an amorphous form.Rhombic sulfur is obtained by crystallization from a suitable solution,such as CS2,and it melts at 112.Monoclinic sulfur is formed by cooling melted sulfur and it melts at 119.Both forms of crystalline sulfur melt into S-gamma,which is composed of S8 molecules.The S8 molecules are puckered rings and survive heating to about 160.Above 160,the S8 rings break open,and some of these fragments combine with each other to form a highly viscous mixture of irregularly shaped coils.At a range of higher temperatures the liquid sulfur becomes so viscous that it will not pour from its container.The color also changes from straw yellow at sulfurs melting point to a deep reddishbrown as it becomes more viscous.,As the boiling point of 444 is approached,the large-coiled molecules of sulfur are partially degraded and the liquid sulfur decreases in viscosity.If the hot liquid sulfur is quenched by pouring it into cold water,the amorphous form of sulfur is produced.The structure of amorphous sulfur consists of large-coiled helices with eight sulfur atoms to each turn of the helix;the overall nature of amorphous sulfur is described as rubbery because it stretches much like ordinary rubber.In a few hours the amorphous sulfur reverts to small rhombic crystals and its rubbery property disappears.,Sulfur,and important raw material in industrial chemistry,occurs as the free element,as SO2 in volcanic regions,as H2S in mineral waters,and in a variety of sulfide ores such as iron pyrites FeS2,zinc blende ZnS,galena PbS,and in common formations of gypsum CaSO42H2O,anhydrite CaSO4,and barytes BaSO42H2O.Sulfur,in one form or another,is used in large quantities for making sulfuric acid fertilizers,insecticides,and paper.Sulfur in the form of SO2 obtained in the roasting of sulfide ores is recovered and converted to sulfuric acid,although in previous years much of this SO2 was discarded through exceptionally tall smokestacks.Fortunately,it is now economically favorable to recover these gases,thus greatly reducing this type of atmospheric pollution.A typical roasting reaction involves the change.,kk:abandon,get rid of,2ZnS+3O2 2ZnO+2SO2Phosphorus,below 800,consists of tetratomic molecules,P4.Its molecular structure provides for a covalence of three,as may be expected from the three unpaired p electrons in its atomic structure,and each atom is attached to three others.Instead of a strictly orthogonal orientation,with the three bonds 90 to each other,the bond angles are only 60.This supposedly strained structure is stabilized by the mutual interaction of the four atoms(each atom is bonded to the other three),but it is chemically the most active form of phosphorus.This form of phosphorus,the white modification,is spontaneously combustible in air.When heated to 260 it changes to red phosphorus,whose structure is obscure.Red phosphorus is stable in air but,like all forms of,kk:Indefinite,unclearreciprocal,phosphorus,it should be handled carefully because of its tendency to migrate to the bones when ingested,resulting in serious physiological damage.Elemental carbon exists in one of two crystalline structures-diamond and graphite.The diamond structure,based on tetrahedral bonding of hybridized sp3 orbitals,is encountered among Group IV elements.We may expect that as the bond length increases,the hardness of the diamond type crystal decreases.Although the tetrahedral structure persists among the elements in this group-carbon,silicon,germanium,and gray tin-the interatomic distances increase from 1.54 for carbon to 2.80 for gray tin.Consequently,the bond strengths among the four elements range,kk:administer,from very strong to quite weak.In fact,gray tin is so soft that it exists in the form of microcrystals or merely as a powder.Typical of the Group IV diamond-type crystalline elements,it is a nonconductor and shows other nonmetallic properties.2.GROUPS IB AND IIB ELEMENTS2.1 Physical properties of Group IB and IIBThese elements have a greater bulk use as metals than in compounds,and their physical properties vary widely.Gold is the most malleable and ductile of the metals.It can be hammered into sheets of 0.00001 inch in thickness;one gram of the metal can be drawn into a wire 1.8mi(mile)in length.Copper and silver are also metals that are mechanically easy to work.Zinc is a little brittle at ordinar