Croatica Chemica Acta, Vol. 64 No. 3, 1991.
Izvorni znanstveni članak
Resonating Valence-Bond Theory for Polyenes and Polyacetylene
M. A. Garcia-Bach
; Facultad de Fisica, Universidad de Barcelona, Diagonal 647, 08028 Barcelona, Spain
R. Valenti
; Facultad de Fisica, Universidad de Barcelona, Diagonal 647, 08028 Barcelona, Spain
S. A. Alexander
; Department of Physics, University of Florida, Gainesville, FL 32611, USA
D. J. Klein
; Texas A&M University at Galveston, Galveston, Texas, 77553-1675
Sažetak
Pauling’s resonating valence-bond concepts are selectively reviewed and illustratively utilized to describe the ground and low-lying homopolar states of polyenes. Our computations are found to support a simple picture dominated by just a few resonance structures and are in agreement with qualitative experimental observations.
Dedicated to Linus Pauling, Great Scientist, Teacher and Humanitarian
Ključne riječi
Hrčak ID:
137314
URI
Datum izdavanja:
31.12.1991.
Posjeta: 882 *