caa a22 4500 46575502X CHVBK 20180323111844.0 cr unu---uuuuu 170327e19901201xx s 000 0 eng 10.1007/BF01164856 doi (NATIONALLICENCE)springer-10.1007/BF01164856 Details of the reaction graphs for intramolecular isomerizations of the carboranes [Elektronische Daten] [Benjamin Gimarc, Jane Ott] From proposed mechanisms for framework reorganizations of the carboranes C2B n-2H n ,n = 5-12, we present reaction graphs in which points or vertices represent individual carborane isomers, while edges or arcs correspond to the various intramolecular rearrangement processes that carry the pair of carbon heteroatoms to different positions within the same polyhedral form. Because they contain both loops and multiple edges, these graphs are actually pseudographs. Loops and multiple edges have chemical significance in several cases. Enantiomeric pairs occur among carborane isomers and among the transition state structures on pathways linking the isomers. For a carborane polyhedral structure withn vertices, each graph hasn(n -1)/2 graph edges. The degree of each graph vertex and the sum of degrees of all graph vertices are independent of the details of the isomerization mechanism. The degree of each vertex is equal to twice the number of rotationally equivalent forms of the corresponding isomer. The total of all vertex degrees is just twice the number of edges orn(n - 1). The degree of each graph vertex is related to the symmetry point group of the structure of the corresponding isomer. Enantiomeric isomer pairs are usually connected in the graph by a single edge and never by more than two edges. J.C. Baltzer AG, Scientific Publishing Company, 1990 Gimarc Benjamin Department of Chemistry, University of South Carolina, 29208, Columbia, SC, USA aut Ott Jane Department of Chemistry, Furman University, 29613, Greenville, SC, USA aut Journal of Mathematical Chemistry Kluwer Academic Publishers 5/4(1990-12-01), 359-380 0259-9791 5:4<359 1990 5 10910 https://doi.org/10.1007/BF01164856 text/html Onlinezugriff via DOI 1 research-article jats NATIONALLICENCE 856 40 https://doi.org/10.1007/BF01164856 text/html Onlinezugriff via DOI NATIONALLICENCE 700 1- Gimarc Benjamin Department of Chemistry, University of South Carolina, 29208, Columbia, SC, USA aut NATIONALLICENCE 700 1- Ott Jane Department of Chemistry, Furman University, 29613, Greenville, SC, USA aut NATIONALLICENCE 773 0- Journal of Mathematical Chemistry Kluwer Academic Publishers 5/4(1990-12-01), 359-380 0259-9791 5:4<359 1990 5 10910 Metadata rights reserved Springer special CC-BY-NC licence nationallicence BK010053 XK010053 XK010000 NATIONALLICENCE NATIONALLICENCE NL-springer