ChemNews.Com VOL 9 NO 4

Chris Wiecek is a Science Head Teacher at Smith's Hill High School, NSW, Australia. Currently he is developing a new chemistry course with major emphasis on the use of computer technology for drawing, modeling and simulations.

The ChemOffice suite of software offers a range of learning activities for school students from early high school (11-12 year olds) to the senior years and naturally beyond to university level application. This makes it especially attractive for school use. Students can become familiar with the software using its simple applications and gradually extend their knowledge of its full range of application. The ChemOffice suite is highly recommended, as each of the software packages has significant usage for high school students in general science and chemistry classes.

ChemOffice

ChemOffice is clearly a polished suite of programs with features designed for ease of use. The online tutorials are excellent and highly recommended for teachers to ensure their prior knowledge of the software. The students will find the programs work in similar intuitive ways to programs that they already use. The manuals are informative and I was able to reference any queries I had from them. The manuals also contain detachable quick reference cards for both platforms with details of screen elements and the Tools palette as well as a number of hints and explanations of the menus.

Figure 1: Insert Name as Structure option on the Edit menu

ChemDraw

This program contains a number of outstanding features adaptable for high school students. The Tools menu allows for the rapid drawing of structural formulas. However for beginners there are other outstanding features. One example is the Insert Name as Structure option on the Edit menu (see Figure 1). This allows a student to, for example, enter the names of straight chain alkanes and get the corresponding structural formulas.

These formulas can then be arranged neatly on the page using the draw features of the program (see Figure 2). The default settings show the carbon skeleton, but the full constitutional formulas are readily available by selecting the structures and entering the hot key "c" for hydrocarbon chains. Sections of molecules can also be modified in this way. This was my starting point for my senior chemistry class. I followed up by having them modify the formulas to alkenes, alkynes etc. Naturally, more complicated names such as branched chain hydrocarbons are also recognized. This makes for a good follow up lesson.

Figure 2: Insert Name as Structure option creates alkane structures and Hot Key "C" displays the full formula

Students can bring in their textbooks and work through the organic nomenclature on the computer. The Insert Name as Structure feature works quickly and accurately for all of the typical structures encountered in high school organic chemistry courses. It accepts substances by common names (often IUPAC preferred), as well as the systematic name. For example, ethyl acetate (IUPAC) and ethyl ethanoate (systematic) are both accepted, as are propionic acid and propanoic acid. Even names such as salicylic acid and anthranilic acid (o-aminobenzoic acid) are recognized. Different nomenclatures are also recognized; hex-2-ene and 2-hexene both give the same structure. Incorrect names are also drawn correctly, though the name is not automatically corrected; 1-methylbutane is drawn as pentane. My students soon found that they obtained formulas for quite complex substances whose names were familiar to them like cholesterol, testosterone and cortisone.

Figure 3: Convert Structure to Name option on the Structure menu

Students can check the name for a structure they enter by simply selecting the structure. Select the marquee icon and drag over the entire formula, then choose Convert Structure to Name from the Structure menu (Figure 3). Clearly students can utilize this feature while mastering organic nomenclature. Inorganic compounds are also recognized and drawn; sulfuric acid, nitric acid, silanes and oxyanions (SO42-), but not boranes. Formulas from ChemDraw can even be copied and pasted into Chem3D and converted into space filling models.

Figure 4: Structure regenerated using Clean Up Structure

But there is still much more for the high school student! The features I've described barely scratch the surface of the programs' capacities. Structures can be drawn using the Tools menu bar. This contains tools for selection, deletion, acyclic chains, text and multiple bonds. The Clean Up Structure command tidies up the shape of the molecule (Figure 4).

Molecular formula, weight and percentage composition are available by selecting any drawn molecule and then choosing Analyze Structure from the Structure menu. Other information is also given including melting and boiling points and heat of formation, though these are calculated values.

Figure 5: a search on the ChemFinder database for lactic acid

Figure 6: Lactic Acid formula from ChemFinder pasted into Chem3D

Another great feature is the ready templates on the Tools menu. These contain all common amino acids, sugars, DNA and RNA bases, though the Clean Up command is needed in some cases to get the correct shape of the molecule.

Chem3D

Chem3D allows for the creation of 3D structural formulas. These can be created directly or imported as line drawings from ChemDraw or ChemFinder. Outline formulas from ChemDraw can be pasted into Chem3D and instantly are converted into 3D structures. A search on the ChemFinder database for lactic acid yields the following information (Figure 5). The formula can be selected, copied, and pasted into Chem3D for examination of the 3D shape (Figure 6). Compute Properties on the Analyze menu gives a range of data on lactic acid.

Naturally, structures can be generated directly by simply selecting a bond tool, clicking and dragging. Atoms default as carbon but are easily changed; select the Text tool, position the cursor on the atom you wish to change, and type the symbol of the required element. My classes quickly grasped these simple procedures and the hardest task was to keep them on the simple structures encountered in schools. The templates in ChemDraw provide a ready source of interest for students for 3D formulas of sugars, DNA bases, and more.

A key feature of Chem3D is the capacity to change the 3D appearance of the molecule. My students found the ball and stick model type and the space filling model type most useful (Figure 7). These model types are found under Settings on the View menu.

Figure 7: a choice of model types available

ChemFinder

ChemFinder contains an built-in periodic table as a database, available from the View menu. Click on an element to find basic information like atomic number and atomic mass. Double click on a symbol to get a detailed property set for the element including melting point, boiling point, valency as well as the name of the discovering scientist. This simple activity is a suitable database introduction for beginning science students. For example, I asked my students to find detailed information on ten given elements.

The demonstration databases found within the ChemFinder folder provide for more chemical database work. The first tutorial itself is a worthwhile class activity and provides enough detail for senior students to search through the much larger databases provided on CD.

An add-on for Microsoft Excel 97 for Windows is installed automatically with this software. This readily allows for the exchange of data between the applications and enables spreadsheet functionality.

ChemInfo

ChemInfo is a library of databases that can be searched for information. The pick for high school students is the ChemMSDX database. ChemMSDX is essential for any high school science department. It contains over 7,000 material safety datasheets on a series of linked forms that are accessed by selecting the appropriate button (Figure 8). I examined the database for several inorganic compounds found in schools and realized how much we take for granted in our handling of chemicals. The database can be used with minimal instruction. An ideal activity for the start of a chemistry course would be to have students research ten different chemicals found in the school in terms of hazards, handling and compound information. This could be followed up with routine examination of information on substances as they are used in the laboratory.

Figure 8: Material Safety Datasheet from ChemMSDX

Summary

Overall the ChemOffice Ultra package has wide application in the teaching of chemistry in schools. It provides students with access to well developed simulation software. The databases provided are superb, and information can be linked to spreadsheet software. Key areas of classroom application include the fields of organic and biological chemistry, valency, structure and bonding, chemical safety, and information. Further, there are the more advanced applications for those inquisitive students who want to get more out of it, e.g. molecular dipoles and charge distribution in molecules.

The students in my classes found the software easy to learn and a stimulating learning experience. Many became so engrossed in their work that they had to be told to finish off at the end of the teaching period. While my classes were using the software I was approached by students in other teachers' chemistry classes to organize time for them to use the ChemOffice package. They had heard about it and didn't want to miss out. Consequently, I have had a busy but rewarding few weeks.