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roaming dynamicÊÇʲôÒâ˼
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×î½ü¿´ÎÄÏ× £¬ÓÐÕâÑùµÄ´Ê»ãroaming dynamic£¬µ«ÊDz»ÖªµÀʲôÒâ˼¡£¹ØÓÚÕâ¸öÀíÂÛÓÐÈËÖªµÀÊÇʲôÒâ˼Â𣿠ÒÔϵÄ˵Ã÷¹©²Î¿¼£¬A novel theoretical framework for predicting the branching between roaming and bond fission channels in molecular dissociations is described and applied to the decomposition of acetaldehyde¡£ During this roaming, the radicals may sample orientations where there is a barrierless path leading to the abstraction of a radical from one radical to the other. Most commonly, this abstraction involves the transfer of an H atom. Our own contribution to the treatment of roaming dynamics for ion-molecule reactions considered the multiple channels available from the [C2H2 ¡¤ ¡¤ ¡¤CH4 +] ion molecule complex.4 |
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