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dc.contributor.authorMo, YR
dc.contributor.author莫亦容
dc.contributor.authorSchleyer, PV
dc.contributor.authorJiao, HJ
dc.contributor.authorLin, ZY
dc.date.accessioned2012-08-05T02:56:51Z
dc.date.available2012-08-05T02:56:51Z
dc.date.issued1998-04-14
dc.identifier.citationCHEMICAL PHYSICS LETTERS,1997,280(5-6):439-443zh_CN
dc.identifier.issn0009-2614
dc.identifier.urihttp://dx.doi.org/10.1016/S0009-2614(97)01195-0
dc.identifier.urihttps://dspace.xmu.edu.cn/handle/2288/13423
dc.description.abstractAn orbital deletion procedure (ODP) at HF/6-311G** have been used to evaluate the hyperconjugation effects in the cyclopropylcarbinyl cation (1) and in cyclopropylborane (2), as well as the conjugation effects in the allyl cation (3) and in vinylborane (4). The hyperconjugation (or conjugation) energies have been quantified by ODP in which the critical "vacant" carbocation (or boron) p orbital is "deactivated". Comparisons between the bisected conformations of 1 with 3, and 2 with 4 demonstrate that cyclopropane can be just as effective as a pi-electron donor as a C=C double bond. (C) 1997 Elsevier Science B.V.zh_CN
dc.language.isoenzh_CN
dc.publisherELSEVIER SCIENCE BVzh_CN
dc.titleQuantitative evaluation of hyperconjugation in the cyclopropylcarbinyl cation and in cyclopropylboranezh_CN
dc.typeArticlezh_CN


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