Fragmentation of cyclobutoxychlorocarbene: the cyclopropylcarbinyl/cyclobutyl cations revisited | Zendy

Moss Robert A. | Zendy; Zheng Fengmei | Zendy; Johnson Lauren A. | Zendy; Sauers Ronald R. | Zendy

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Fragmentation of cyclobutoxychlorocarbene: the cyclopropylcarbinyl/cyclobutyl cations revisited

Author(s) -

Moss Robert A.,

Zheng Fengmei,

Johnson Lauren A.,

Sauers Ronald R.

Publication year - 2001

Publication title -

journal of physical organic chemistry

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 0.325

H-Index - 66

eISSN - 1099-1395

pISSN - 0894-3230

DOI - 10.1002/poc.371

Subject(s) - chemistry , fragmentation (computing) , ion , computational chemistry , medicinal chemistry , organic chemistry , computer science , operating system

Fragmentations of cyclobutoxychlorocarbene ( 13 , k frag = 7.1 × 10 5 s −1 ) and cyclopropylmethoxychlorocarbene ( 14 , k frag = 7.6 × 10 5 s −1 ) in MeCN proceed to tight and distinct [R + OC Cl − ] ion pairs, which collapse to different distributions of cyclopropylcarbinyl, cyclobutyl and allylcarbinyl chlorides. B3LYP/6–31G* calculations support these conclusions, affording computed fragmentation activation energies of 6.4 ( 13 ) and 3.0 ( 14 ) kcal mol −1 . Copyright © 2001 John Wiley & Sons, Ltd.

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