1  More about trees: the final instalment

by Herbert Fleischner

Looking at the graphs in Figure 4 of the article in Issue 7.1 (reproduced below as Figure 3), we notice that they all have some vertices of degree 1. Such vertices are called endvertices, and no tree has less than two of these.

tree.png
Figure 1:

Lemma 6:  If G is a tree with at least two vertices, then it has at least two different endvertices.

Proof:   Since G is a tree, it is also a connected graph; and since it has at least two vertices, E(G) ¹ Æ must hold (see (d) in the proof of Theorem 5 above). Start a walk at some u Î V(G) along some edge e incident with u; e cannot be a loop since G is acyclic; so e joins u and v ¹ u. If d(v)=1, i.e., e is the only edge incident with v, then v is an endvertex; otherwise continue the walk along some f ¹ e. Repeating the argument, we note:

(i)   in continuing the walk we always choose the edge at a vertex of degree > 1, which is different from those edges already traversed;

(ii)   because of (i) and since G is acyclic we cannot reach a vertex passed before (think this through!).

Thus, since V(G) and E(G) are finite sets, this walk (which is a path indeed) must terminate at some vertex t from which the walk cannot be continued along an edge not yet traversed. That is, d(t)=1, hence t is an endvertex. t ¹ u, but t=v is possible (see above).

Now we look at u. If d(u)=1, then u,t are two endvertices, and nothing is left to be proved. So assume d(u) > 1, and start at u another walk traversing e¢ ¹ e first (such e¢ incident with u exists because of d(u) > 1). Observing that (i) and (ii) also hold w.r.t. this second walk, and hold in this case even w.r.t. vertices passed in the first walk, we conclude that the second walk will terminate at some w ¹ t such that d(w)=1. That is, t and w are two different endvertices of G. \blacksquare

In fact, this Lemma will be used in the following criterion which characterizes trees by a simple relationship between the respective numbers of vertices and edges.

Theorem 7   A connected graph G on p vertices and q edges is a tree if and only if q=p-1.

Proof:   Since the theorem says `if and only if', we must proceed in two steps, starting from the hypothesis that G is connected.

Step 1:  Suppose the connected graph G on p vertices and q edges is a tree. We want to show that q=p-1 (that is the `only if' part, the necessary condition).

If G has just one vertex, then E(G)=Æ follows of necessity in this case: i.e., p=1,q=0 implying q=0=1-1=p-1. So the claimed equation holds for a tree with just one vertex.

If G has more than one vertex, then G being a tree implies (by Lemma 6) that G has at least two endvertices. Let t Î V(G) be one of them, and let f be the only edge incident with t. Then
G1:=G-{t,f}
is also a tree (think this through!), and it has one vertex less than G. Since the equation has been proved for p=1, we may invoke induction: so if G1 has p1 vertices and q1 edges, then q1=p1-1. On the other hand, p=p1+1,q=q1+1 by construction of G1. Whence q=q1+1=(p1+1)-1=p-1 implying the validity of the equation for G as well. [As an exercise, prove this part of the proof of the theorem, by contradiction].

Step 2:  Suppose for the connected graph G that its number of vertices, p, and its number of edges, q, satisfy q=p-1. We want to show that G is a tree. In any case, by Theorem 5, G contains a spanning tree T. T has p¢=p vertices and q¢ £ q edges. Now, since T is a tree, we know from Step 1, the first part of the proof of this theorem, that q¢=p¢-1; and q=p-1 holds by assumption. Combining these two equations and using p¢=p,q¢ £ q, we obtain
q ³ q¢=p¢-1=p-1=q
from which q¢=q follows. That is T=G, so G is a tree indeed. \blacksquare

Note that if we had proved Step 1 of the proof of Theorem 7 before proving Theorem 5 (in this Step 1 and in the proof of Lemma 6, no use of Theorem 5 has been made), then we could have proved Theorem 5 by induction on the number of edges of G, instead of proceeding by induction on the number of cycles (get issue 7.2 and check this carefully!).

Trees play an important role in graph theory - but they originate from considerations in organic chemistry! And this is where we want to turn to, now.

Let us consider the alkanes: their formula is CnH2n+2. But what are their structure formulae? Don't worry, if you have forgotten. Let us just consider the structure formulae for n=1,2; and the corresponding abstract graphs (for this is what structure formulae of chemical compounds are!).

fig6.png
Figure 2:

So, the structure formulae of CH4 and C2H6 are trees if we represent atoms by vertices and valencies by edges. But is this true for every n? In any case, the graphs corresponding to CnH2n+2 have only two types of vertices: vertices of degree 4 and vertices of degree 1 - and this is all that we borrow from chemistry: carbon atoms are 4-valent, hydrogen atoms are 1-valent.

The graph Gn corresponding to CnH2n+2 has
p=n+(2n+2)=3n+2
vertices. The Handshaking Lemma (Theorem 3 in issue 6.3),
\dsåi=1p d(vi)=2q, applied to this special case yields
n·4+(2n+2)·1 = 2qi.e.q=3n+1
(observe that in this case, the first n terms in the sum are all 4, while the others are all 1). That is, the graphs Gnn=1,2,¼, with p=3n+2 and - as just shown - q=3n+1 thus satisfy q=p-1. Since we are not dealing with polymers, the molecules CnH2n+2 correspond to connected (!) graphs. So, Gn is a connected graph satisfying q=p-1. By Theorem 7, Gn is a tree for every n. Quite amazing indeed how much one can say about the alkanes by using very little of their chemical properties!

But that's not all! If we look at the subgraphs Tn of Gn which we obtain by deleting all the endvertices of Gn (together with the corresponding edges), then these Tn are also trees - called carbon trees. Now, T1,T2,T3 are uniquely determined, but for T4 we have two possibilities (see Figure 5). And for n > 4 the number of different carbon trees Tn grows larger and larger (determine all possibilities for T5 and T6). That is, through graph theoretical considerations we are led to the possible existence of isomers. Which of the possible carbon trees Tn actually appear in reality, is to be decided by chemical and physical properties of CnH2n+2. However, graph theory can say how many isomers of the form CnH2n+2 may possibly exist.

fig7.png
Figure 3:

We finish by remarking that trees also play an important role in areas like computer science and coding theory.



File translated from TEX by TTH, version 3.01.
On 11 Oct 2004, 10:51.


Previous
Home
Next