Novo procedimento para interpretar espectros de emissão de raios X de águalaquida
Uma equipe internacional de pesquisadores desenvolveu um procedimento que lhes permite reproduzir a característica de pico duplo dos espectros de espectroscopia de emissão de raios-X (XES) em águalaquida.
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)
Molanãcula de águaem fase laquida acelerando dina¢mica por radiação de raios-X Crédito: Osamu Takahashi, Universidade de Hiroshima
A águaéum composto abundante e essencial, encontrado em todos os lugares da Terra. No entanto, apesar de sua familiaridade e estrutura simples, a águaapresenta muitas propriedades físicas incomuns. Por mais de um século, os cientistas voltaram sua atenção para o estudo da a¡gua, tentando interpretar melhor sua estrutura. Uma equipe internacional de pesquisadores, liderada por um acadêmico da Universidade de Hiroshima, desenvolveu um procedimento que lhes permite reproduzir a característica de pico duplo dos espectros de espectroscopia de emissão de raios-X (XES) em águalaquida.
O estudo que ajuda a avana§ar na compreensão da estrutura da a¡gua, liderado por Osamu Takahashi, professor associado da Escola de Pa³s-Graduação de Ciência e Engenharia Avana§ada da Universidade de Hiroshima, foi publicado em 25 de fevereiro na Physical Review Letters .
Ao longo dos anos, a medida que os cientistas trabalharam para entender melhor a estrutura da águalaquida, alguns estudaram a águausando um modelo de duas estruturas. Outros cientistas, em uma ampla gama de campos, usaram um modelo laquido uniforme e contanuo. O XES provou ser uma ferramenta útil para pesquisadores que estudam substâncias cujas caracteristicas não são homogaªneas.
Por mais de uma década, os cientistas debateram como interpretar os espectros XES da águalaquida. Para resolver esse problema, a equipe de pesquisa realizou ca¡lculos de dina¢mica molecular para criar as estruturas modelo da águalaquida. O pra³ximo passo foi estimar os espectros XES para a águalaquida, usando os primeiros princapios dos ca¡lculos da meca¢nica qua¢ntica.
(esquerda) Espectros teóricos XES de águaem diferentes temperaturas. Dois estados 1b1
são atribuados como 1b1' e 1b1â€. As intensidades de 1b1†estãoaumentando com a
temperatura, enquanto as de 1b1' estãodiminuindo, o que éa mesma tendaªncia com
o experimento. (direita) Dependaªncia isota³pica de espectros teóricos XES de águalaquida
a 300 K. O mesmo efeito isota³pico pode ser visto no experimento, com pico de 1b1' tendo
intensidade muito menor do que 1b1" para águade deutanãrio D2O, enquanto que para
H2O a situação éinversa . Crédito: Osamu Takahashi, Universidade de Hiroshima
A equipe foi capaz de reproduzir teoricamente o recurso 1b 1 duplo presente na espectroscopia de emissão de raios-X da águalaquida. Eles exploraram diferentes efeitos, como geometria e dina¢mica, para determinar a forma dos espectros XES.
Adotando simulações cla¡ssicas de dina¢mica molecular, a equipe conseguiu construir a estrutura da águana fase laquida. Nessas simulações, os pesquisadores trabalharam em vários pontos de temperatura com o comprimento da ligação e os a¢ngulos das moléculas de águafixos. Nos espectros que calcularam, os pesquisadores conseguiram reproduzir as características, como os picos duplos do estado 1b 1 , que haviam sido observados anteriormente por outros cientistas em espectros XES experimentais.
Para entender melhor os recursos que estavam vendo, a equipe de pesquisa classificou os espectros XES calculados com base nos diferentes tipos de ligações de hidrogaªnio. Eles observaram a característica de pico duplo nos espectros XES em todos os diferentes tipos de ligações de hidrogaªnio que estudaram.
Depois de examinar os espectros relacionados a s ligações de hidrogaªnio, a equipe estudou o efeito dos modos vibracionais termicamente excitados nos espectros XES. Eles obtiveram nove modos vibracionais independentes e estudaram seus efeitos nos espectros.
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Os pesquisadores conseguiram reproduzir com sucesso os espectros XES da águalaquida examinando o efeito dos modos vibracionais completos, alongamento OH, flexa£o e modos rotacionais. Eles explicaram a dependaªncia da temperatura e do isãotopo examinando a configuração das ligações de hidrogaªnio em torno da molanãcula de águaexcitada e a dina¢mica induzida pelo núcleo. "Nosso procedimento égeral e pode ser aplica¡vel a vários sistemas relacionados aos fena´menos, incluindo águalaquida", disse Takahashi.
A equipe espera que sua pesquisa possa ajudar a resolver alguns dos debates de longa data em torno da interpretação da estrutura da águalaquida. Olhando para o futuro, os pesquisadores veem várias aplicações potenciais para o procedimento. “O desenvolvimento de novos materiais, como eletrodos usados ​​em baterias, biomateriais como vasos sanguaneos artificiais e polímeros funcionais, como membranas de tratamento de água, podem ser projetos fascinantes, relacionados a estrutura da águalaquida â€, disse Takahashi.