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ACETONE AND THE CONTROL BAR
Shown at the top is the structure of acetone.
Please note that there are 8 control buttons located on the bar
beneath the structure. While you are
free to investigate all of them, there are only four control buttons that are
necessary for these exercises. Placing
the mouse pointer on the button will identify its function. Starting from the left, you have the
following options:
 This will allow you to open Chem3D to edit
the molecule; however, you have to have a copy of the software! We will not be
using this control.
 This will allow you to change the Display
Mode. To use this control, simply
press the “down” arrow.
You will be given five display options. Feel free to try them all, but we will
primarily be using the “Ball and Stick” and “Space
Filling” display modes. We will be using this control.
 This will allow you to select specific
atoms and bonds. We will be using this control.
 This will allow you to
move the entire molecule around the box.
Feel free to play with it, but we
will not be using this control.
 This will allow you to rotate the molecule
around the x axis and the y axis. To
rotate the entire molecule, simply select this control, place your mouse
cursor in the structure window, and move the mouse cursor. It takes a little practice to get it to
move exactly along the x and/or y axis.
We will be using this control.
 This is the zoom
button, and it will allow you to chance the size of the molecule. To use this control, simply select it,
place your mouse cursor in the structure window, and move the mouse cursor
either up (to enlarge) or down (to shrink).
This control may be helpful to you in selecting specific atoms or in
viewing certain effects.
 These are the “movie” control
buttons that allow you to set your molecule to either “spin”
(left control) or “rock” (right control). Feel free to play with it, but we will not be using these controls.
IDENTIFYING ATOMS AND BONDS
All of the atoms are color coded.
Red = Oxygen
Blue = Nitrogen
Dark Gray = Carbon
Light Blue (Cyan) = Hydrogen
Additionally, atoms can be identified by simply placing the mouse cursor
on top of the atoms. This feature is also useful in identifying the
bonds and functional groups associated with the atoms. For example, the
two outside carbons of acetone are labeled as "C Alkane",
indicating that they are part of a single bond while the middle carbon is
labeled "C Carbonyl," indicating it is part of a double bond to the
oxygen. When examining aniline, each of the six carbons of the aromatic
ring are identified as “C Alkene”
because they are all contributing to the aromaticity
of the ring. Additionally, each atom
has been assigned a specific number (e.g., the carbonyl oxygen is
designated as O[4]). These numbers will be
used in some exercises to help you identify and/or manipulate specific atoms,
bonds and/or functional groups. Otherwise, you can ignore these
numbers. You will also note that bond
lengths are indicated. The bond
lengths will not be used to any great extent in the tutorial/modeling
exercises and can be ignored unless otherwise noted.
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