Historical Teaching of Atomic and Molecular Structure
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The Practice of Chemistry Education (Paper)
CHEMISTRY EDUCATION: THE PRACTICE OF CHEMISTRY EDUCATION RESEARCH AND PRACTICE (PAPER) 2004, Vol. 5, No. 1, pp. 69-87 Concept teaching and learning/ History and philosophy of science (HPS) Juan QUÍLEZ IES José Ballester, Departamento de Física y Química, Valencia (Spain) A HISTORICAL APPROACH TO THE DEVELOPMENT OF CHEMICAL EQUILIBRIUM THROUGH THE EVOLUTION OF THE AFFINITY CONCEPT: SOME EDUCATIONAL SUGGESTIONS Received 20 September 2003; revised 11 February 2004; in final form/accepted 20 February 2004 ABSTRACT: Three basic ideas should be considered when teaching and learning chemical equilibrium: incomplete reaction, reversibility and dynamics. In this study, we concentrate on how these three ideas have eventually defined the chemical equilibrium concept. To this end, we analyse the contexts of scientific inquiry that have allowed the growth of chemical equilibrium from the first ideas of chemical affinity. At the beginning of the 18th century, chemists began the construction of different affinity tables, based on the concept of elective affinities. Berthollet reworked this idea, considering that the amount of the substances involved in a reaction was a key factor accounting for the chemical forces. Guldberg and Waage attempted to measure those forces, formulating the first affinity mathematical equations. Finally, the first ideas providing a molecular interpretation of the macroscopic properties of equilibrium reactions were presented. The historical approach of the first key ideas may serve as a basis for an appropriate sequencing of -
The History of the Concept of Element, with Particular Reference to Humphry Davy
The Physical Sciences Initiative The history of the concept of element, with particular reference to Humphry Davy One of the problems highlighted when the recently implemented chemistry syllabus was being developed was the difficulty caused by starting the teaching of the course with atoms. The new syllabus offers a possible alternative teaching order that starts at the macroscopic level, and deals with elements. If this is done, the history of the idea of elements is dealt with at a very early stage. The concept of element originated with the ancient Greeks, notably Empedocles, who around 450 BC defined elements as the basic building blocks from which all other materials are made. He stated that there were four elements: earth, air, fire and water. Substances were said to change when elements break apart and recombine under the action of the forces of strife and love. Little progress was made in this area until the seventeenth century AD. The fruitless attempts of the alchemists to change base metals such as lead into gold and to find the “elixir of life” held back progress, although much chemical knowledge and expertise was gained. In 1661, 1 The Physical Sciences Initiative The Physical Sciences Initiative Robert Boyle defined an element as a substance that cannot be broken down into simpler materials. He cast doubt on the Greek elements, and provided a criterion for showing that a material was not an element. Robert Boyle Many elements were discovered during the next 100 years, but progress was delayed by the phlogiston hypothesis. According to this hypothesis, when a substance was burned it lost a substance called phlogiston to the air. -
References Title: in Search of El Dorado: John Dalton and the Origins of the Atomic Theory. Authors:Rocke, Alan J. Source
References Title: In Search of El Dorado: John Dalton and the Origins of the Atomic Theory. Authors: Rocke, Alan J. Source: Social Research ; Spring2005, Vol. 72 Issue 1, p125-158, 34p Abstract: This article examines how John Dalton formulated his atomic theory of matter. Dalton's work called forth a vigorous international research program that has a continuous history from 1803 t the present-- nanoscience long before the word became vogue. Almost from the start, that research program utterly transformed the science; moreover, it was atomistic theory that enabled chemistry, two generations after Dalton, to become the earliest example of a well-developed science-based theory acquiring the practical power to transform the world of technology and commerce. Dalton knew that water consists of 87.5 oxygen and 12.5 percent hydrogen by weight that is exactly seven times as much as oxygen as hydrogen. If one assumes, with Dalton, that the invisibly small water molecule consists of an atom of hydrogen united to an atom of oxygen, then every oxygen atom must weigh seven times as much as every hydrogen atom, for under these circumstances it is o bvious that the weight ratio of the atoms must match the composition of the compound. In contrast to Dalton, Humphry Davy and Jacob Berzelius assumed (in 1812 and 1814, respectively) that the formula for water was H2O rather than Dalton's HO. ISSN: 0037-783X Accession Number: 16900837 Persistent link to http://proxy.library.upenn.edu:2062/login.aspx?direct=true&db=aph&AN=16900837&site=ehost this record: live Title: Find More Like This J. -
Historical Development of the Periodic Classification of the Chemical Elements
THE HISTORICAL DEVELOPMENT OF THE PERIODIC CLASSIFICATION OF THE CHEMICAL ELEMENTS by RONALD LEE FFISTER B. S., Kansas State University, 1962 A MASTER'S REPORT submitted in partial fulfillment of the requirements for the degree FASTER OF SCIENCE Department of Physical Science KANSAS STATE UNIVERSITY Manhattan, Kansas 196A Approved by: Major PrafeLoor ii |c/ TABLE OF CONTENTS t<y THE PROBLEM AND DEFINITION 0? TEH-IS USED 1 The Problem 1 Statement of the Problem 1 Importance of the Study 1 Definition of Terms Used 2 Atomic Number 2 Atomic Weight 2 Element 2 Periodic Classification 2 Periodic Lav • • 3 BRIEF RtiVJiM OF THE LITERATURE 3 Books .3 Other References. .A BACKGROUND HISTORY A Purpose A Early Attempts at Classification A Early "Elements" A Attempts by Aristotle 6 Other Attempts 7 DOBEREBIER'S TRIADS AND SUBSEQUENT INVESTIGATIONS. 8 The Triad Theory of Dobereiner 10 Investigations by Others. ... .10 Dumas 10 Pettehkofer 10 Odling 11 iii TEE TELLURIC EELIX OF DE CHANCOURTOIS H Development of the Telluric Helix 11 Acceptance of the Helix 12 NEWLANDS' LAW OF THE OCTAVES 12 Newlands' Chemical Background 12 The Law of the Octaves. .........' 13 Acceptance and Significance of Newlands' Work 15 THE CONTRIBUTIONS OF LOTHAR MEYER ' 16 Chemical Background of Meyer 16 Lothar Meyer's Arrangement of the Elements. 17 THE WORK OF MENDELEEV AND ITS CONSEQUENCES 19 Mendeleev's Scientific Background .19 Development of the Periodic Law . .19 Significance of Mendeleev's Table 21 Atomic Weight Corrections. 21 Prediction of Hew Elements . .22 Influence -
Quantum Crystallography†
Chemical Science View Article Online MINIREVIEW View Journal | View Issue Quantum crystallography† Simon Grabowsky,*a Alessandro Genoni*bc and Hans-Beat Burgi*de Cite this: Chem. Sci.,2017,8,4159 ¨ Approximate wavefunctions can be improved by constraining them to reproduce observations derived from diffraction and scattering experiments. Conversely, charge density models, incorporating electron-density distributions, atomic positions and atomic motion, can be improved by supplementing diffraction Received 16th December 2016 experiments with quantum chemically calculated, tailor-made electron densities (form factors). In both Accepted 3rd March 2017 cases quantum chemistry and diffraction/scattering experiments are combined into a single, integrated DOI: 10.1039/c6sc05504d tool. The development of quantum crystallographic research is reviewed. Some results obtained by rsc.li/chemical-science quantum crystallography illustrate the potential and limitations of this field. 1. Introduction today's organic, inorganic and physical chemistry. These tools are usually employed separately. Diffraction and scattering Quantum chemistry methods and crystal structure determina- experiments provide structures at the atomic scale, while the Creative Commons Attribution 3.0 Unported Licence. tion are highly developed research tools, indispensable in techniques of quantum chemistry provide wavefunctions and aUniversitat¨ Bremen, Fachbereich 2 – Biologie/Chemie, Institut fur¨ Anorganische eUniversitat¨ Zurich,¨ Institut fur¨ Chemie, Winterthurerstrasse 190, CH-8057 Zurich,¨ Chemie und Kristallographie, Leobener Str. NW2, 28359 Bremen, Germany. Switzerland E-mail: [email protected] † Dedicated to Prof. Louis J. Massa on the occasion of his 75th birthday and to bCNRS, Laboratoire SRSMC, UMR 7565, Vandoeuvre-l`es-Nancy, F-54506, France Prof. Dylan Jayatilaka on the occasion of his 50th birthday in recognition of their cUniversit´e de Lorraine, Laboratoire SRSMC, UMR 7565, Vandoeuvre-l`es-Nancy, F- pioneering contributions to the eld of X-ray quantum crystallography. -
The Development of the Periodic Table and Its Consequences Citation: J
Firenze University Press www.fupress.com/substantia The Development of the Periodic Table and its Consequences Citation: J. Emsley (2019) The Devel- opment of the Periodic Table and its Consequences. Substantia 3(2) Suppl. 5: 15-27. doi: 10.13128/Substantia-297 John Emsley Copyright: © 2019 J. Emsley. This is Alameda Lodge, 23a Alameda Road, Ampthill, MK45 2LA, UK an open access, peer-reviewed article E-mail: [email protected] published by Firenze University Press (http://www.fupress.com/substantia) and distributed under the terms of the Abstract. Chemistry is fortunate among the sciences in having an icon that is instant- Creative Commons Attribution License, ly recognisable around the world: the periodic table. The United Nations has deemed which permits unrestricted use, distri- 2019 to be the International Year of the Periodic Table, in commemoration of the 150th bution, and reproduction in any medi- anniversary of the first paper in which it appeared. That had been written by a Russian um, provided the original author and chemist, Dmitri Mendeleev, and was published in May 1869. Since then, there have source are credited. been many versions of the table, but one format has come to be the most widely used Data Availability Statement: All rel- and is to be seen everywhere. The route to this preferred form of the table makes an evant data are within the paper and its interesting story. Supporting Information files. Keywords. Periodic table, Mendeleev, Newlands, Deming, Seaborg. Competing Interests: The Author(s) declare(s) no conflict of interest. INTRODUCTION There are hundreds of periodic tables but the one that is widely repro- duced has the approval of the International Union of Pure and Applied Chemistry (IUPAC) and is shown in Fig.1. -
Quantum Reform
feature Quantum reform Leonie Mueck Quantum computers potentially offer a faster way to calculate chemical properties, but the exact implications of this speed-up have only become clear over the last year. The first quantum computers are likely to enable calculations that cannot be performed classically, which might reform quantum chemistry — but we should not expect a revolution. t had been an exhausting day at the 2012 International Congress of Quantum IChemistry with countless presentations reporting faster and more accurate methods for calculating chemical information using computers. In the dry July heat of Boulder, Colorado, a bunch of young researchers decided to end the day with a cool beer, but the scientific discussion didn’t fade away. Thoughts on the pros and cons of all the methods — the approximations they involved and the chemical problems that they could solve — bounced across the table, until somebody said “Anyway, in a few years we will have a quantum computer and our approximate methods will be obsolete”. An eerie silence followed. What a frustrating thought! They were devoting their careers to quantum chemistry — working LIBRARY PHOTO RICHARD KAIL/SCIENCE tirelessly on applying the laws of quantum mechanics to treat complex chemical of them offering a different trade-off between cannot do on a ‘classical’ computer, it does problems with a computer. And in one fell accuracy and computational feasibility. not look like all the conventional quantum- swoop, would all of those efforts be wasted Enter the universal quantum computer. chemical methods will become obsolete or as chemists turn to quantum computers and This dream machine would basically work that quantum chemists will be out of their their enormous computing power? like a normal digital computer; it would jobs in the foreseeable future. -
Quantum Chemistry and Spectroscopy – Spring 2018
CHE 336 – Quantum Chemistry and Spectroscopy – Spring 2018 Instructor: Dr. Jessica Sarver Email: [email protected] Office: HSC 364 (email hours: 8 am – 10 pm) Office Hours: 10am-12pm Tuesday, 2-3pm Wednesday, 10:30-11:30am Friday, or by appointment Course Description (from Westminster undergraduate catalog) Quantum chemistry and spectroscopy is the study of the microscopic behavior of matter and its interaction with electromagnetic radiation. Topics include the formulation and application of quantum mechanical models, atomic and molecular structure, and various spectroscopic techniques. Laboratory activities demonstrate the fundamental principles of physical chemistry. Methods that will be used during the laboratory portion include: polarimetry, UV-Vis and fluorescence spectroscopies, electrochemistry, and computational/molecular modeling. Prerequisites: C- grade in CHE 117 and MTH 152 and PHY 152. Course Outcomes The chemistry major outcomes are: • Describe and explain quantum theory and the three quantum mechanical models of motion. • Describe and explain how these theories/models are applied and incorporated to applications of atomic/molecular structure and spectroscopy. • Describe and explain the principles of four major types of spectroscopy and their applications. • Describe and explain the measurable thermodynamic parameters for physical and chemical processes and equilibria. • Describe and explain how chemical kinetics can be used to investigate time-dependent processes. • Solve mathematical problems based on physical chemical principles and connect the numerical results with these principles. Textbook The text for this course is Physical Chemistry, 10th Ed. by Atkins and de Paula. Readings and problem set questions will be assigned from this text. You are strongly urged to get a copy of this textbook and complete all the assigned readings and homework. -
Constraint Closure Drove Major Transitions in the Origins of Life
entropy Article Constraint Closure Drove Major Transitions in the Origins of Life Niles E. Lehman 1 and Stuart. A. Kauffman 2,* 1 Edac Research, 1879 Camino Cruz Blanca, Santa Fe, NM 87505, USA; [email protected] 2 Institute for Systems Biology, Seattle, WA 98109, USA * Correspondence: [email protected] Abstract: Life is an epiphenomenon for which origins are of tremendous interest to explain. We provide a framework for doing so based on the thermodynamic concept of work cycles. These cycles can create their own closure events, and thereby provide a mechanism for engendering novelty. We note that three significant such events led to life as we know it on Earth: (1) the advent of collective autocatalytic sets (CASs) of small molecules; (2) the advent of CASs of reproducing informational polymers; and (3) the advent of CASs of polymerase replicases. Each step could occur only when the boundary conditions of the system fostered constraints that fundamentally changed the phase space. With the realization that these successive events are required for innovative forms of life, we may now be able to focus more clearly on the question of life’s abundance in the universe. Keywords: origins of life; constraint closure; RNA world; novelty; autocatalytic sets 1. Introduction The plausibility of life in the universe is a hotly debated topic. As of today, life is only known to exist on Earth. Thus, it may have been a singular event, an infrequent event, or a common event, albeit one that has thus far evaded our detection outside our own planet. Herein, we will not attempt to argue for any particular frequency of life. -
Basic Concepts of Chemical Bonding
Basic Concepts of Chemical Bonding Cover 8.1 to 8.7 EXCEPT 1. Omit Energetics of Ionic Bond Formation Omit Born-Haber Cycle 2. Omit Dipole Moments ELEMENTS & COMPOUNDS • Why do elements react to form compounds ? • What are the forces that hold atoms together in molecules ? and ions in ionic compounds ? Electron configuration predict reactivity Element Electron configurations Mg (12e) 1S 2 2S 2 2P 6 3S 2 Reactive Mg 2+ (10e) [Ne] Stable Cl(17e) 1S 2 2S 2 2P 6 3S 2 3P 5 Reactive Cl - (18e) [Ar] Stable CHEMICAL BONDSBONDS attractive force holding atoms together Single Bond : involves an electron pair e.g. H 2 Double Bond : involves two electron pairs e.g. O 2 Triple Bond : involves three electron pairs e.g. N 2 TYPES OF CHEMICAL BONDSBONDS Ionic Polar Covalent Two Extremes Covalent The Two Extremes IONIC BOND results from the transfer of electrons from a metal to a nonmetal. COVALENT BOND results from the sharing of electrons between the atoms. Usually found between nonmetals. The POLAR COVALENT bond is In-between • the IONIC BOND [ transfer of electrons ] and • the COVALENT BOND [ shared electrons] The pair of electrons in a polar covalent bond are not shared equally . DISCRIPTION OF ELECTRONS 1. How Many Electrons ? 2. Electron Configuration 3. Orbital Diagram 4. Quantum Numbers 5. LEWISLEWIS SYMBOLSSYMBOLS LEWISLEWIS SYMBOLSSYMBOLS 1. Electrons are represented as DOTS 2. Only VALENCE electrons are used Atomic Hydrogen is H • Atomic Lithium is Li • Atomic Sodium is Na • All of Group 1 has only one dot The Octet Rule Atoms gain, lose, or share electrons until they are surrounded by 8 valence electrons (s2 p6 ) All noble gases [EXCEPT HE] have s2 p6 configuration. -
Ocw-5.112-Lec24 the Following Content Is Provided by MIT Opencourseware Under a Creative Commons License
MITOCW | ocw-5.112-lec24 The following content is provided by MIT OpenCourseWare under a Creative Commons license. Additional information about our license and MIT OpenCourseWare in general is available at ocw.mit.edu. Today I would like to start by discussing a timeline. And you will see in a moment what this timeline has to do with. It is obviously only a partial timeline. But let's start here in 1916, as we have done this semester, by talking about the Lewis theory of electronic structure. And his electron pair theory is something we are going to come back to a couple of times during lecture today. Let's move on to 1954. 1954 was an important year in electronic structure theory, because in that year there was awarded, to Linus Pauling, the Nobel Prize in chemistry. Let me write down Pauling here. And if you are interested in knowing something about what Pauling was awarded the Nobel Prize in chemistry for, I will show you over here on the side boards. What you are going to see here, if you read this citation for Linus Carl Pauling in 1954 for the Nobel Prize in chemistry, his prize was awarded principally for his contributions to our understanding of the nature of the chemical bond. If you think back to the elegant title of the paper by Lewis that we started out our discussion of acid-base theory with, it was a paper entitled "The Atom and the Molecule." And now we have gotten to Pauling, in 1954, who is being awarded a Nobel Prize in chemistry for the nature of the chemical bond. -
Complex Chemical Reaction Networks from Heuristics-Aided Quantum Chemistry
View metadata, citation and similar papers at core.ac.uk brought to you by CORE provided by Harvard University - DASH Complex Chemical Reaction Networks from Heuristics-Aided Quantum Chemistry The Harvard community has made this article openly available. Please share how this access benefits you. Your story matters. Citation Rappoport, Dmitrij, Cooper J. Galvin, Dmitry Zubarev, and Alán Aspuru-Guzik. 2014. “Complex Chemical Reaction Networks from Heuristics-Aided Quantum Chemistry.” Journal of Chemical Theory and Computation 10 (3) (March 11): 897–907. Published Version doi:10.1021/ct401004r Accessed February 19, 2015 5:14:37 PM EST Citable Link http://nrs.harvard.edu/urn-3:HUL.InstRepos:12697373 Terms of Use This article was downloaded from Harvard University's DASH repository, and is made available under the terms and conditions applicable to Open Access Policy Articles, as set forth at http://nrs.harvard.edu/urn-3:HUL.InstRepos:dash.current.terms-of- use#OAP (Article begins on next page) Complex Chemical Reaction Networks from Heuristics-Aided Quantum Chemistry Dmitrij Rappoport,∗,† Cooper J Galvin,‡ Dmitry Yu. Zubarev,† and Alán Aspuru-Guzik∗,† Department of Chemistry and Chemical Biology, Harvard University, 12 Oxford Street, Cambridge, MA 02138, USA, and Pomona College, 333 North College Way, Claremont, CA 91711, USA E-mail: [email protected]; [email protected] Abstract While structures and reactivities of many small molecules can be computed efficiently and accurately using quantum chemical methods, heuristic approaches remain essential for mod- eling complex structures and large-scale chemical systems. Here we present heuristics-aided quantum chemical methodology applicable to complex chemical reaction networks such as those arising in metabolism and prebiotic chemistry.