Reações de Triésteres Arílicos do Ácido Fosfórico com Alquil-Lítio
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Reações de Triésteres Arílicos do Ácido Fosfórico com Alquil-Lítio

Reações de Triésteres Arílicos do Ácido Fosfórico com Alquil-Lítio


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About the Book

A importância dos fosfatos e fosfonatos como análogos de substâncias bioativas, estimulou uma abordagem teórico-experimental acerca da estrutura eletrônica e reatividade de triésteres arílicos do ácido fosfórico e avaliação da reatividade destes frente a carbânions. Neste trabalho estão descritas diversas reações de fosfatos de triarila com reagentes alquilítio com diferentes basicidade/nucleofilicidades. A partir dessas reações foram caracterizados produtos provindos de diferentes mecanismos de reação, tanto em função dos substituintes no anel, quanto da basicidade/nucleofilicidade do reagente empregado. Por mecânica molecular foi possível fazer uma busca sistemática dos espaços conformacionais para a seleção das geometrias de menor energia. Nos sistemas di e triarílicos foram realizados cálculos por métodos semi-empíricos para se obter as respectivas estruturas eletrônicas. Nos cálculos realizados nos sistemas mono-arílicos, foram empregados métodos semi-empíricos e ab initio com funções triplo-zeta em nível Hartree-Fock e DFT. Estes cálculos forneceram as respectivas configurações eletrônicas do grupo fosforila e os deslocamentos químicos de teóricas de RMN 31P.


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Product Details
  • ISBN-13: 9783841714190
  • Publisher: Novas Edicoes Academicas
  • Binding: Paperback
  • Language: Portuguese
  • Returnable: N
  • Spine Width: 10 mm
  • Width: 152 mm
  • ISBN-10: 3841714196
  • Publisher Date: 02 Dec 2015
  • Height: 229 mm
  • No of Pages: 176
  • Series Title: Portuguese
  • Weight: 317 gr


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Reações de Triésteres Arílicos do Ácido Fosfórico com Alquil-Lítio
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