(Will be extended from time to time.)
arc
an edge with a direction
complete graph
a complete graph is a graph, in which every vertex is connected to every other vertex
the symbol that is used for a complete graph is Kn, where n is the number of vertices
connected
a net is connected, if there is a continuous path from every vertex to every other vertex
cycle
= circuit = closed path;
a cycle is a continuous path (along edges) in which the start and end vertex are the same
cycles sum
the sum of two cycles is the set of edges that occur exactly once (meaning that the edges that occur twice will be deleted);
example:
cyclomatic number
the cyclomatic number g is the number of edges that are necessary to complete a spanning tree to make this subgraph a complete connected graph
If there are v vertices and e edges in the complete connected graph, the cyclomatic number is:
g = e – v +1
embedding
a graph/net, in which the vertices have been assigned (Euclidean) coordinates; this implies that now the edges have a certain length
girth
the length of the shortest cycle of a graph
if the graph is a tree, the girth is said to be infinite
graph
an abstract mathematical object in which vertices are connected by edges
k-connected
an k-connected graph is a graph in which k numbers of vertices (and their edges) have to be deleted to separate the graph into two parts
graphs, which consists of vertices which are all 3-coordinated can be indeed only 2-connected:
if the two orange vertices were deleted, the graph is disjoint
minimal net
a net with genus 3
the genus of a surface is – simply speaking – equivalent to the number of its “holes” or “handles”
the primitive unit cell of a 3D-periodic net has at least 3 such holes, for most of the nets the genus is much higher
there are only 8 nets that have these minimal number of holes:
cds, dia, hms, pcu, srs, tfa, tfc, and ths
n-coordinated
an n-coordinated vertex has n connections to other vertices, n is the coordination number
shortform: n-c, for instance nbo is a 4-c net
if two or more vertices with different coordination numbers are present, the different coordination numbers of the vertices are separated by commas and are enclosed in brackets, for instance the net tbo is a (3,4)-c net
sometimes, a multinodal net is specified only in its short or compact form, i.e. only the different coordination numbers are given, in other cases every non-symmetry-related vertex is explicitely specified with its coordination number, for instance zhc is a octanodal (3,3,3,3,4,4,4,4)-c net; its short notation is again only (3,4)-c;
net
a finite or periodic, connected, and simple graph
simple means that the edges have no directions and that it contains no loops (edges linking a vertex to itself), and that there are no multiple edges between any vertices
quasiregular net
a quasiregular net is characterized by the transitivity pqrs = 1112
there is only one quasiregular net:
fcu
regular net
a regular net is characterized by the transitivity pqrs = 1111
there are only 5 regular nets:
bcu, dia, nbo, pcu, and srs
a regular net is vertex– as well as edge-transitive
semiregular net
a semiregular net is characterized by the transitivity pqrs = 11rs (with r > 1)
there are 16 semiregular nets:
lvt, sod, lcs, lcv, qtz, hxg, lcy, crs, bcs, acs, reo, thp, rhr, ana, ibb, and icc
a semiregular net is vertex– as well as edge-transitive
spanning tree
a subgraph of a graph, which is a tree and which consists of all vertices of the graph
usually a graph may have several different spanning trees
tree
a graph without any closed paths
uniform net
in a uniform net at all angles the shortest rings are all of the same size
Can you include a definition of a “net”? I recall some discussion about this.
yes, will expand the glossary right after my holiday!
I was curious to remind myself of the definition… Happy holiday.
Hello,
It is a very interesting description. It could be nice to know more about MOF topology. Do you have any suggestion for literature?
Regards,
T.S. Diógenes
Hi!
Thanks for your comment!
A general overview about topology of crystalline nets can be found in this chapter and references cited therein:
F. Hoffmann, M. Fröba, in: The Chemistry of Metal-Organic Frameworks: Synthesis, Characterization, and Applications (Ed.: S. Kaskel), Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim, Germany, 2016, pp. 5–40.
https://onlinelibrary.wiley.com/doi/10.1002/9783527693078.ch2
best wishes!
Frank