Kinematic mass effect in the dynamical stereochemistry of activated bimolecular reactions

H. Kornweitz, A. Persky, R. D. Levine

نتاج البحث: نشر في مجلةمقالةمراجعة النظراء

22 اقتباسات (Scopus)

ملخص

The dynamics of elementary A + BC exchange reactions with restricted cones of acceptance can be very much dependent on the location of the BC center of mass. Other things being equal, the heavier B is, the wider is its cone of acceptance for reaction with A, for a nonrotating BC molecule. The reactivity will, however, significantly decline the higher the rotational energy of BC is as compared to the A-BC relative kinetic energy. The opposite conclusions apply for reaction with the C end. The conclusions are motivated by analytical considerations of the variation of the effective potential energy function upon isotopic substitution and by explicit potential maps for the O + HCl, Cl + HCl, F + H2, Cl + H2, and O + H2 reactions. These demonstrate that the heavier B is, the more the potential gradient is directed so as to orient reagents into the cone of acceptance.

اللغة الأصليةالإنجليزيّة
الصفحات (من إلى)1621-1625
عدد الصفحات5
دوريةJournal of Physical Chemistry
مستوى الصوت95
رقم الإصدار4
المعرِّفات الرقمية للأشياء
حالة النشرنُشِر - 1991
منشور خارجيًانعم

بصمة

أدرس بدقة موضوعات البحث “Kinematic mass effect in the dynamical stereochemistry of activated bimolecular reactions'. فهما يشكلان معًا بصمة فريدة.

قم بذكر هذا