TY - JOUR
T1 - Total π-electron energy of phenylenes
T2 - Bounds and approximate expressions
AU - Gutman, I.
AU - Tomović, Ž.
PY - 2001/1/1
Y1 - 2001/1/1
N2 - The structure dependence of the total π-electron energy E (and therefore of the thermodynamic stability) of phenylenes is examined. Sharp and narrow upper and lower bounds for E are obtained. The gross part of E (above 99%) is determined by the size of the phenylene molecule, measured by the number h of hexagons. An approximate mathematical form of the dependence of E on h is established.
AB - The structure dependence of the total π-electron energy E (and therefore of the thermodynamic stability) of phenylenes is examined. Sharp and narrow upper and lower bounds for E are obtained. The gross part of E (above 99%) is determined by the size of the phenylene molecule, measured by the number h of hexagons. An approximate mathematical form of the dependence of E on h is established.
KW - Chemical graph theory
KW - Phenylenes
KW - Total π-electron energy
UR - http://www.scopus.com/inward/record.url?scp=57249116141&partnerID=8YFLogxK
U2 - 10.1007/s007060170042
DO - 10.1007/s007060170042
M3 - Article
AN - SCOPUS:57249116141
SN - 0026-9247
VL - 132
SP - 1023
EP - 1029
JO - Monatshefte für Chemie
JF - Monatshefte für Chemie
IS - 9
ER -