TY - JOUR
T1 - Strain in bicyclobutane
T2 - On the interpretation of quantitative data
AU - Rozental, Esther
AU - Azran, Carmela
AU - Basch, Harold
AU - Hoz, Shmaryahu
PY - 1999
Y1 - 1999
N2 - In small rings, strain energy is believed to be dominated by bond angles (Baeyer strain). However, it was found (Dill et al.) that, in bicyclobutane, bridgehead substitution effects on strain energy range from +10 to -30 kcal. Ab initio computation at the 6-31G and 6-31+G* levels have shown that the deformation caused by the bridgehead substitution is minimal and so are its energetic consequences.
AB - In small rings, strain energy is believed to be dominated by bond angles (Baeyer strain). However, it was found (Dill et al.) that, in bicyclobutane, bridgehead substitution effects on strain energy range from +10 to -30 kcal. Ab initio computation at the 6-31G and 6-31+G* levels have shown that the deformation caused by the bridgehead substitution is minimal and so are its energetic consequences.
KW - Bicyclobutane
KW - Geometry distortion
KW - Strain energy
UR - http://www.scopus.com/inward/record.url?scp=0033306204&partnerID=8YFLogxK
U2 - 10.1139/cjc-77-5-6-537
DO - 10.1139/cjc-77-5-6-537
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AN - SCOPUS:0033306204
SN - 0008-4042
VL - 77
SP - 537
EP - 539
JO - Canadian Journal of Chemistry
JF - Canadian Journal of Chemistry
IS - 5-6
ER -