以三甲胺、1,4-重氮二环[2,2,2]辛烷(DABCO)为催化剂,室温合成了19个Baylis-Hillman加成物(BH),生物活性测试发现:在2000 g a.i./ha的剂量下,2-((2,4-二氯苯基)(羟基)甲基)丙烯酸甲酯(BH-7)具有较为广谱的除草活性,对阔叶杂草百日草和...以三甲胺、1,4-重氮二环[2,2,2]辛烷(DABCO)为催化剂,室温合成了19个Baylis-Hillman加成物(BH),生物活性测试发现:在2000 g a.i./ha的剂量下,2-((2,4-二氯苯基)(羟基)甲基)丙烯酸甲酯(BH-7)具有较为广谱的除草活性,对阔叶杂草百日草和苘麻的防效达到100%;对禾本科杂草稗草和马唐的防效分别为80%和75%;在25g a.i./ha的剂量下3-(羟基(4-硝基苯基)甲基)丁-3-烯-2-酮(BH-18)对番茄晚疫病的防效为100%,对稻瘟病及蔬菜灰霉病的防效均为50%。展开更多
The quantum chemical investigations of some representative bis-adducts of C60, C60O2, C60（NH）2, C60（CH2NHCH2）2 and C60（SO4）2 have been carried out at the AM1 and PM3 semi-empirical molecular orbital levels. The ...The quantum chemical investigations of some representative bis-adducts of C60, C60O2, C60（NH）2, C60（CH2NHCH2）2 and C60（SO4）2 have been carried out at the AM1 and PM3 semi-empirical molecular orbital levels. The relative energies of various isomers of these C60 bis-adducts have been calculated. For C60O2 and C60（NH）2 with the sterically non-demanding addends, cis-1 isomer resulted from 1,2-additions to adjacent 6/6 ring fusion is the lowest energy structure; for C60（CH2NHCH2）2 and C60（SO4）2 with sterically demanding addends, the most energetically preferred structure is e isomer. This is consistent with and enhances the general rule for regio-selectivity of fullerene C60 established by Hirsch, though Hirschs rule is summarized on the basis of methanofullerenes. The thermodynamic analysis is not significant to explain the experimentally observed regiochemistry for C60 bis-adducts, and the kinetic reasons or mechanisms may dominant in determining the regioselectivity of fullerene bis-adducts. Further addition patterns for multiple addition were also discussed.展开更多
文摘以三甲胺、1,4-重氮二环[2,2,2]辛烷(DABCO)为催化剂,室温合成了19个Baylis-Hillman加成物(BH),生物活性测试发现:在2000 g a.i./ha的剂量下,2-((2,4-二氯苯基)(羟基)甲基)丙烯酸甲酯(BH-7)具有较为广谱的除草活性,对阔叶杂草百日草和苘麻的防效达到100%;对禾本科杂草稗草和马唐的防效分别为80%和75%;在25g a.i./ha的剂量下3-(羟基(4-硝基苯基)甲基)丁-3-烯-2-酮(BH-18)对番茄晚疫病的防效为100%,对稻瘟病及蔬菜灰霉病的防效均为50%。
文摘The quantum chemical investigations of some representative bis-adducts of C60, C60O2, C60（NH）2, C60（CH2NHCH2）2 and C60（SO4）2 have been carried out at the AM1 and PM3 semi-empirical molecular orbital levels. The relative energies of various isomers of these C60 bis-adducts have been calculated. For C60O2 and C60（NH）2 with the sterically non-demanding addends, cis-1 isomer resulted from 1,2-additions to adjacent 6/6 ring fusion is the lowest energy structure; for C60（CH2NHCH2）2 and C60（SO4）2 with sterically demanding addends, the most energetically preferred structure is e isomer. This is consistent with and enhances the general rule for regio-selectivity of fullerene C60 established by Hirsch, though Hirschs rule is summarized on the basis of methanofullerenes. The thermodynamic analysis is not significant to explain the experimentally observed regiochemistry for C60 bis-adducts, and the kinetic reasons or mechanisms may dominant in determining the regioselectivity of fullerene bis-adducts. Further addition patterns for multiple addition were also discussed.
