Some Useful Sites for the Course “INTRODUCTION TO GREEN ANS SUSTAINABLE CHEMISTRY”
(Politecnico di Milano, CCS Chimici e Ambientali)
About Atoms, Elements, Units, and Constants:
• Constants, Units, and Uncertainty (NIST)
Information at the foundation of modern science and technology from NIST (National Institute of Standards and Technology U.S.A): values of the constants and related information, Searchable bibliography, SI system.
Excellent reference site.
• WebElements
WebElements is a collection of hypertexts of data of first 112 elements on general properties , chemical, physical, nuclear, electronic, biologic, geologic, crystallographic, reduction potentials, isotopic abundances, electronic configurations, ionization enthalpy, and history of elements. The periodic table is a masterpiece of organized chemical information
• Chart of Nuclides
Basic properties of known atomic nuclei. Each horizontal raw represents an element, with the colored symbols corresponding to known isotopes of the element. The vertical columns represent the nuclides with the same number of neutrons. Clicking on a region of the chart, more detailed sections are available.
Databases of chemical products:
• NIST Chemistry Webbook
This site provides access to data compiled and distributed by NIST under the Standard Reference Data Program. Among other data are reported:
(1) Thermochemical data for over 7000 organic and small inorganic compounds (Enthalpy of formation and combustion, Heat capacity, Entropy, Phase transition enthalpies and temperatures, Vapor pressure);
(2) Reaction thermochemistry data for over 8000 reactions (Enthalpy of reaction, Free energy of reaction) (3) Spectroscopic data (IR spectra, mass spectra, electronic UV-Vis spectra, electronic and vibrational spectra).
(4) Gas chromatographic data.
(5) Constants of diatomic molecules
(6) Thermo-physical property data for 74 fluids
(7) Ion energetics data (ionization energy, Appearance energy, Electron affinity, Proton affinity, Gas basicity, Cluster ion binding energies).
Searches can be made by name, formula, or "CAS Registry Number" of the specific compound.
Databases of toxicity:
• https://echa.europa.eu/information-on-chemicals
This site of “European Chemical Agency” is a distinctive source of information on chemical products produced or imported in Europe. It cover their properties, classification and labeling, and also information on how can be used under safety conditions. Substitutions of more dangerous and toxic compounds are suggested.
• MSDS - SIRI
This site of the Vermont University (Vermont SIRI Web Site) contains the safety sheets of various chemical suppliers. Moreover, it is also a good starting point for finding other chemical safety websites.
Drawing/visualization programs and plug-in:
• Biovia Draw
Program to draw simple molecules very simple to use and with wide potentialities. The drawing can be imported into other word processing programs (word and the like).
• ACD/ChemSketch 3.5 - FREEWARE
Molecular writing program with many templates. Molecules can be visualized in 3D with standard geometries
or simple quantomechanical minimizations. Various related programs are available that can import and display molecules in mol formats, display IR and NMR spectra in appropriate formats, etc.
• Discovery Studio 4.2 - FREEWARE
3D visualization program for molecoles (MSI), configurable as a browser, is compatible with various formats and has a great graphics that cannot be imported into many windows programs.
• RasMol - FREEWARE
Developed by Glaxo, you can download it from the Rochester Institute of Technology or other sites that can be retrieved via Internet. It is useful to display (under Windows) molecules in PDB or mol format.
• ACD/ChemSketch - FREEWARE
This program is a design package that allows writing chemical structures including organic, organometallic, polymeric and Markush structures. Moreover, it includes the calculation of molecular properties (such as molecular mass, density, refractivity, etc.), visualization and simulation of 2D and 3D structures.
Chemical Nomenclature:
• Organic & Biochemical Nomenclature IUPAC
This site contains recommendations on Organic & Biochemical Nomenclature, Symbols & Terminology etc.
from IUPAC with a wide number of examples.
X-Ray:
• http://www.iucr.org/resources/data
• http://www.ccdc.cam.ac.uk/mercury/
