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Comprehensive Indices to Chemistry Websites

Organic Chemistry Resources Worldwide – Lots of links, broken into 6 major subcategories: The Literature, The Bench, Structural Analysis, The Desk, Communication, Other Activities.

The Virtual Chemistry Center — Lots of links to material from every branch of chemistry, broken into several categories: Measurement, Periodic Tables, Chemicals and Biochemicals (Major Databases and Specialized Databases), Chemistry Overview, and Chemistry Courses, Textbooks, and Databases.

Organic Chemistry Portal — Main categories: Organic Reactions, Org. Chem. Highlights, Abstracts, Chemicals, Chemistry Tools, Chemistry Books, Resources.

Comprehensive Lecture Related Websites:

WEB-sters’ Organic Chemistry – This website contains links to all sorts of useful web pages for students of organic chemistry. This is a great place to start your search for online resources to help you in organic chemistry.

Organic Chemistry Online at the University of Illinois at Chicago – This website contains reviews and problem sets on a variety of topics discussed in first semester organic including: Structure & Bonding, Spectroscopy, Stereochemistry, and Functional Group Reactions.

Organic Online – Try out the online quiz feature at this web site.

Organic Reaction Quizzes and Summaries – This site has a summary of reactions for organic chemistry students. It also has quizzes so you can practice recognizing reactions.

The Organic Chemistry Student Resource Page at Colby College – Although some of the material at this website is specifically directed towards the Colby chemistry program, there is also a wealth of material that will be useful to you. Some categories that you might want to investigate are: Stereochemistry, Practice Problems, Links to other websites, Computer Demos, and Organic Webcards.

Spectroscopy — Tutorials and Practice Problems

Organic Chemistry Online at the University of Illinois at Chicago — This site has good introductions to IR Spectroscopy, NMR Spectroscopy, and Mass Spectrometry.
Organic Structure Elucidation Workbook — This online workbook contains 64 spectral problems grouped into three classes: easy, moderate, and difficult. Most problems contain an IR spectrum (film or KBr pellet), a 500 MHz 1H NMR spectrum, a 125 MHz 13C NMR spectrum, and a 70 eV electron ionization Mass Spectrum.
WebSpectra – Problems in NMR and IR Spectroscopy — This site has a number of problems grouped into four categories: beginning, intermediate 1, intermediate 2, and advanced. All problems contain 1H-NMR and 13C-NMR spectra, some also contain IR, DEPT, or, COSY data. There are also a number of educational pages describing IR and NMR spectroscopy.
Predicting Spectra for Nuclear Magnetic Resonance (NMR) — Dr. Tom Ippoliti and the Center for Multimedia Development at the University of St. Thomas have developed this web tutorial for undergraduate organic students. The exercise begins by presenting a molecule with a highlighted fragment. The student is asked to predict three qualities of the associated signal: the chemical shift (the signal’s position along the axis), its integration (the area under the signal), and its splitting pattern (the number of “peaks” the signal has). The program is adaptive and presents more difficult problems as the student masters simpler ones. This site also provides an online NMR shift reference table, a shift calculator, and tutorials on predicting shift and splitting.
Univ. of Arizona MS tutorial — This is an excellent introductory tutorial for students learning Mass Spectrometry. It includes a brief introduction to Mass Spectrometry and how it works, a short list of the basic steps used to interpet a mass spectrum, examples of analyzed fragmentation patterns observed for molecules containing common functional groups (alcohols, aldehydes, alkanes, amides, amines, carboxylic acids, esters, ethers, halides an ketones), and an excellent set of quizzes.
Mass Spectroscopy for Chromatographers at Univ. of Akron — This is an introductory “short course” in the use of the mass spectrometer attached to a gas chromatograph. The section titled “Mass Spectrometer Detector” discusses some of the instrumental details. There is also a section on Mass Spectral Interpretation, and an excellent set of 5 example problems that take you through the process of analyzing a mass spectrum. I recommend looking at these.

Lab Related Websites:

Physical and Safety Data for Organic Molecules

MSDS Websites — The sites listed here contain online MSDS (Material Safety Data Sheet) information. These sites are useful sources of safety information and physical data on a wide variety of compounds. The UPS chemistry department maintains MSDS’s in Mike Hottott’s office, Th 308a.
Chemfinder — This site lets you search for compounds by name, formula, MW, mp, bp, CAS #, structure or substructure. [To do the structure searching you will need to use a Smiles String representation of your structure or substructure. The smiles string can be automatically generated by downloading the drawing program (CS ChemDraw Net) that will alow you to save a structure as a Smiles String.] In addition to giving you information about the compound(s) it finds, this site also provides links to other chemistry sites that have information about the compound.
Organic Compounds Database — This database allows you to search for compounds by mp, bp, index of refraction, MW, formula, UV absorption, mass spectral peaks, and chemical types (carbonyl, aromatic, NH/OH, saturated or unsaturated CH). It then gives you a list of compounds that meet your criteria. You can then select a compound and get all the information listed above.
Chemexper — This site has a chemicals directory that can be searched by registry number, molecular formula (exact and non-exact), and chemical names (and synonyms). The information you get is similar to that found in the Aldrich catalog: structure, MW, mp, bp, density. It may also provide a link to MSDS’s for the compound. This site also includes a Formula Weight Calculator.
NIMC Spectral Database System– This Japanese database is the most complete and useful web-based spectra archive for organic chemistry that I have found. You can search for data on specific compounds based on compound name, molecular formula, number of atoms (CHNO), molecular weight, or CAS registry number (you must append the % symbol to the registry number). This database contains:
- Mass spectra (19,000)
- FT-IR spectra (47,000)
- 90 MHz and 400 MHz ¹H-NMR spectra (11,500)
- ¹³C-NMR spectra (10,200)
NIST Chemistry WebBook– NIST is the National Institute for Standards and Technology. You can search for data on specific compounds in the Chemistry WebBook based on name, chemical formula, CAS registry number, molecular weight, or selected ion energetics and spectral properties. This site contains:
- IR spectra for over 5000 compounds
  - Most of the IR Spectra in this database are in the vapor phase, and they often look significantly different from those acquired on neat liquids. I recommend checking the NIMC Spectral Database listed below first, since the spectra given there will more closely resemble the ones that you acquire.
- Mass spectra for over 10,000 compounds
- Thermochemical data for over 5000 organic and small inorganic compounds
- Reaction thermochemistry data for over 8000 reactions
- Electronic/vibrational spectra for over 2000 compounds
- Constants of diatomic molecules (spectroscopic data) for over 600 compounds
- Ion energetics data for over 14,000 compounds
- Thermophysical property data for 16 fluids
University of Potsdam — Spectroscopic Tools — This site lets you type in a ¹H-NMR chemical shift, IR absorption, or ms fragment and it will give you a list of possible structures that could give rise to that signal. There is also a large amount of information on NMR available at this site or the Univeristy of Potsdam NMR Home Page. This includes:
- ¹³C-NMR Shift calculation
- NMR Periodic Table
- NMR Solvent Information
- Chemical Shift Tables for ¹H, ¹¹B, ¹³C, ¹⁵N, ¹⁷O, ¹⁹F, and ³¹P.
- ¹³C-NMR Database (192 compounds only).
- Two spin NMR lineform simulation
- Table of Proton NMR J-couplings

Writing Lab Reports

Writing as A Scientist — Resources from Collins Library

Drawing and Modeling Programs Available on the Web

ChemDraw — ChemDraw is the premier chemical structure drawing program. The University of Puget Sound has purchased a site license for the program (Std edition), which means that any student or faculty member may download and use this program on their own computer. (You need to have a UPS email account in order to activate the program.

) The program will also be available on lab computers in the chemistry department.

ISIS Draw — This is a free chemical structure drawing program for both Macintosh and Windows computers. This is the best deal going! Click here to download this program.
Chemscape Chime — This is a free Web browser plug-in that can display 2D and 3D structures embedded within an HTML page or table. Click here to download this program.
RasMol — RasMol is free software for looking at molecular structures. It is similar to Chime (above) but runs as a separate application rather than as a window in a web browser. It runs on Windows or Macintosh/PPC computers. (also unix).

Other Chemistry Websites

The Basics of NMR by Joseph P. Hornak — This is an online book describing the principles of NMR (Nuclear Magnetic Resonance Spectroscopy). This is an excellent discussion of both the theory and some practical considerations regarding NMR spectroscopy. Table of Contents: Introduction, The Mathematics of NMR, Spin Physics, NMR Spectroscopy, Fourier Transforms, Pulse Sequences, NMR Hardware, Practical Considerations, Carbon-13 NMR, 2-D Techniques, Advanced Spectroscopic Techniques. He also has an online book on MRI (Magnetic Resonance Imaging).

Link to ONU Library Chemistry Resources:

http://library.olivet.edu/pubserv/ins/chemistry/index.html

Vast number of resources directed toward chemistry prepared by ONU library and Christopher Spaulding

Organizations:

http://www.chemistry.org/portal/Chemistry

American Chemical Society — requires registration; provides information for undergraduate and graduate students through the educator and students section; news and articles are available through the enthusiasts section

http://www.chemweb.com/

ChemWeb — requires registration; provides updated chemistry news and information according to discipline (Analytical, Bio, Catalysis…) and through the Alchemist magazine; there is limited access to databases and journals; most information can be accessed through the home and forums menus at the top of the web page

http://www.iupac.org/dhtml_home.html

International Union of Pure and Applied Chemistry — provides information on nomenclature and symbols; there are links to websites about chemical elements; a few online publications are also available

Chemical Information:

http://www.atsdr.cdc.gov/

Agency for Toxic Substances and Disease and Registry — this institute is a part of the Department of Health and Human Services; gives information on hazardous substances and public health

http://chemfinder.cambridgesoft.com/

Chemfinder — provides synonyms, CAS numbers, and physical properties data for thousands of chemicals

http://www.cdc.gov/niosh/npg/npg.html

National Institute for Occupational Safety and Health (NIOSH), Pocket Guide to Chemical Hazards — this institute is part of the Centers for Disease Control and Prevention (CDC); presents key information and data for about 650 chemicals or substance groups

http://ull.chemistry.uakron.edu/erd/

The University of Akron Hazardous Chemical Database — information for over 20,000 hazardous chemicals; includes names, formulas, and physical data

http://physchem.ox.ac.uk/MSDS/

University of Oxford Chemical and Safety Information — MSDS on about 15,500 chemicals through the MSDS Data Sheets link; a chemical safety information glossary is also provided through the Glossary link

Government Websites:

http://www.energy.gov/

The Department of Energy — through the Science and Technology link on the left column, there is a great deal of information through the Research Initiatives and Education & Information quick links

http://www.pnl.gov/energyscience/

Energy Science News — published quarterly by the US Department of Energy’s Office of Planning and Analysis within the Office of Science; the purpose of the publication is to inform about current research initiatives and progress in science related fields

http://www.epa..gov

The Environmental Protection Agency — through the Browse EPA Topics link on the left column, information can be accessed about subjects such as environmental research and environmental management

http://webbook.nist.gov/chemistry/

National Institute of Standards and Technology (NIST) Chemistry WebBook — a collection of thermochemical and thermophysical data complied by the NIST

http://physics.nist.gov/cuu

National Institute of Standards and Technology (NIST) Reference on Constants, Units, and Uncertainty — gives the values of scientific constants and explains the SI measurement system

The Elements:

http://physics.nist.gov/PhysRefData/Elements/cover.html

The Elemental Data Index — provided by the National Institute of Standards and Technology (NIST); it’s a periodic table with individual elemental data such as atomic weight, ionization energy, ground-state level, and ground-state configuration

http://www.chemsoc.org/viselements/

The Visual Elements Periodic Table — gives information on each element, such as discovery, origin, and description

http://www.webelements.com/

WebElements — a periodic table with extensive information about every element; information ranges from the history of the element to common compounds to physical properties

http://www.americanelements.com/

American Elements – Provided by a commercial enterprise that produces advanced materials for governments, universities and national laboratories; it describes the research and uses of each of the elements, including properties, safety data and applications.

General Chemistry:

http://www.stanford.edu/~glassman/chem/index.htm

Chemistry Functions — website can be used to solve chemistry related problems such as molar conversions and balancing chemical equations

http://www.shef.ac.uk/~chem/chemputer/

Chemputer — a Chemistry Calculator; can calculate element percentages in molecules and reaction yields

http://antoine.frostburg.edu/chem/senese/101/index.shtml

General Chemistry Online — provides online notes for general chemistry; a glossary is provided with hundreds of terms

http://lrc-srvr.mps.ohio-state.edu/under/chemed/chemed.htm

Interactive Chemistry Tutorials — from Ohio State University; provides short quizzes on a variety of areas in general chemistry

http://www.chem.purdue.edu/gchelp/vsepr/

The Valence Shell Electron Pair Repulsion (VSEPR) Model — reviews Lewis structures and molecular geometry; a glossary of chemistry terms is provided on the bottom left column

Organic Chemistry:

http://www.chemistry.ohio-state.edu/organic/flashcards/

Electronic Organic Chemistry Flashcards — from Ohio State University; flashcard decks are provided for various organic reactions, simply click on a reaction type and flip through the flashcards

http://www.monomerchem.com/display4.html

Monomer Chem’s Name Reaction List — a list of organic reactions from A to Z, just click on a term and see the reaction drawn out

http://www.chemhelper.com/

Organic Chemistry Help — sponsored by Frostburg State University; reviews and explains some common mechanisms

http://www.ilpi.com/organomet/index.html

The Organometallic Hypertextbook — information given on topics such as carbonyl complexes and substitution reactions

http://www.organicworldwide.net/tutorial.html

Tutorials in Organic Chemistry — provides sections on organic reactions and common definitions/terms

Nuclear Magnetic Resonance (NMR):

http://www.cis.rit.edu/htbooks/nmr/bnmr.htm

The Basics of NMR — an extensive online textbook of NMR concepts

http://web.umr.edu/~jstoffer/Spectroscopy/protonNMR.html

Proton Nuclear Magnetic Resonance — some basics on proton NMR

http://www.spectroscopynow.com/Spy/basehtml/SpyH/

SpectroscopyNow — News and Features and Education links provide some useful information on current research articles

Molecular Models:

(NOTE: All of these websites require special downloads to run properly.)

http://science.widener.edu/svb/molecule/molecule.html

Molecular Geometry — contains Lewis dot and 3D structures for a variety of molecules

http://info.bio.cmu.edu/courses/biochemmols/bcmolecules.html

Molecular Models for Biochemistry — provides images of molecules and macromolecules found in biochemistry

http://www.umass.edu/microbio/rasmol/

Protein Explorer — allows one to take a look at 3D molecular structures

General Science:

http://www.cnn.com/TECH/space/

CNN — updated science and space news from CNN.com

http://www.newscientist.com/

New Scientist — vast assortment of scientific topics; information ranges from artificial intelligence to alternative fuel vehicles

http://www.sciencedaily.com/

Science Daily Magazine — information on the latest discoveries and research taking place within the United States

http://www.sciencemag.org/netwatch/

Science NetWatch — through Science Magazine; links to hundreds of websites for any scientific subject

http://www.sciencenews.org/

Science News — online news magazine; some full text articles online, however bibliographic references and sources are available for all published articles

http://dailynews.yahoo.com/h/sc

Yahoo News — science news from Reuters and AP; for more science news use All Science Full Coverage link under the Full Coverage heading on the left side of the page

http://www.akiti.ca/