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Generally,
molecular structure models are divided into three types: (1) the wire model, (2)
the ball and stick model and (3) the space-filling model. Of these, MOL-TALOU
represents the ball and stick model. A ball and stick model clearly shows the
connections of atoms and expresses the size of each atom to a certain extent.
This is why ball and stick structures are often used in chemistry textbooks.
Traditionally, ball and stick models have been classified into the following two
types, depending on their use:
(a) Precision
models used by chemical professionals and researchers
(b) Relatively simple models used for educational purposes |
Models that
satisfy the needs of both have not been available . . . that is, until MOL-TALOU,
which was developed to offer the ideal combination of precision and ease. For
researchers and students alike, MOL-TALOU is the perfect modeling tool.
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MOL-TALOU is
simpler because it limits the user to three basic connections between sticks and
balls, i.e. the single-bond, double-bond and triple-bond connection sticks. Usually
when precision is important, the researcher must select an appropriate type of
stick from among numerous choices or adjust the stick length according to the
combination of atoms. This takes extreme patience and effort.
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Despite
this amazing simplicity, precision is assured. This is because when expressing
interatomic distance by atom-ball radius, MOL-TALOU determines the atom-ball radius
and length of the connecting stick based on the actual data of different interatomic
distances in around 650 known molecular structures. By considering the condition
of valence, which has heretofore been largely ignored, MOL-TALOU is able to express
any combination of atoms with a high degree of precision.
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A key feature
of MOL-TALOU is its ability to determine the atom ball radius and length of the
connecting stick. The resultant model can also be converted easily into a space-filling
model using relational expressions, which makes MOL-TALOU more universal, accurate
and simpler modeling tool than conventional products.
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(1) Principle
of the interatomic bond
An
actual model has hands extending from the atom balls. Hands are connected by sleeves,
and both sides of a sleeve curve are concave. Each concave section engages with
the convex, projecting section at each end of a hand, providing a secure connection.
(2)
Shapes of single-bond, double-bond and triple-bond hands and sleeves
The
cross section of the sleeve varies according to different bond orders. This prevents
hands representing different bond orders from being interconnected accidentally.
The cross section of a single-bond sleeve is circular to allow the hand to rotate.
The concave section of a single-bond sleeve is also jagged for easy determination
of conformation. Double-bond and triple-bond hands/sleeves cannot be rotated due
to the nature of the bonds they create. Moreover, their cross sections are different.
The cross section of the sleeve varies according to different bond orders. This
prevents hands representing different bond orders from being interconnected accidentally.
The cross section of a single-bond sleeve is circular to allow the hand to rotate.
The concave section of a single-bond sleeve is also jagged for easy determination
of conformation. Double-bond and triple-bond hands/sleeves cannot be rotated due
to the nature of the bonds they create. Moreover, their cross sections are different.
(3)
Color-coding of atom balls and sleeves
Atoms
and sleeves of different types are color-coded for easy, reliable differentiation.
Conventional modeling tools also provide some color-coding, but none of them can
clearly differentiate all types of elements by color. But while it facilitates
differentiation and prevents erroneous connections, color-coding also adds an
esthetic look to the model. This is a benefit that conventional molecular modeling
kits have not offered. |
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