The coherence time of the 17‐electron, mixed sandwich complex [CpTi(cot)], (η8‐cyclooctatetraene)(η5‐cyclopentadienyl)titanium, reaches 34 μs at 4.5 K in a frozen deuterated toluene solution. This is a remarkable coherence time for a highly protonated molecule. The intramolecular distances between the Ti and H atoms provide a good compromise between instantaneous and spin diffusion sources of decoherence. Ab initio calculations at the molecular and crystal packing levels reveal that the characteristic low‐energy ring rotations of the sandwich framework do not yield a too detrimental spin‐lattice relaxation because of their small spin–phonon coupling. The volatility of [CpTi(cot)] and the accessibility of the semi‐occupied, non‐bonding dnormalz2 orbital make this neutral compound an ideal candidate for single‐qubit addressing on surface and quantum sensing in combination with scanning probe microscopy.
The coherence time of the 17‐electron, mixed sandwich complex [CpTi(cot)], (η8‐cyclooctatetraene)(η5‐cyclopentadienyl)titanium, reaches 34 μs at 4.5 K in a frozen deuterated toluene solution. This is a remarkable coherence time for a highly protonated molecule. The intramolecular distances between the Ti and H atoms provide a good compromise between instantaneous and spin diffusion sources of decoherence. Ab initio calculations at the molecular and crystal packing levels reveal that the characteristic low‐energy ring rotations of the sandwich framework do not yield a too detrimental spin‐lattice relaxation because of their small spin–phonon coupling. The volatility of [CpTi(cot)] and the accessibility of the semi‐occupied, non‐bonding dnormalz2 orbital make this neutral compound an ideal candidate for single‐qubit addressing on surface and quantum sensing in combination with scanning probe microscopy.
Organometallic sandwich complexes are versatile molecular systems that have been recently employed for single-molecule manipulation and spin sensing experiments. Among related organometallic compounds, the mixed-sandwich S = 1/2 complex (η8-cyclooctatetraene)(η5-cyclopentadienyl)titanium, here [CpTi(cot)], has attracted interest as a spin qubit because of the long coherence time. Here the structural and chemical properties of [CpTi(cot)] on Au(111) are investigated at the monolayer level by experimental and computational methods. Scanning tunneling microscopy suggests that adsorption occurs in two molecular orientations, lying and standing, with a 3:1 ratio. XPS data evidence that a fraction of the molecules undergo partial electron transfer to gold, while our computational analysis suggests that only the standing molecules experience charge delocalization toward the surface. Such a phenomenon depends on intermolecular interactions that stabilize the molecular packing in the monolayer. This orientation-dependent molecule–surface hybridization opens exciting perspectives for selective control of the molecule–substrate spin delocalization in hybrid interfaces.
O presente trabalho busca discutir sobre o ensino de modelos atômicos no ensino médio, a partir do uso de diversificados recursos didáticos, buscando-se superar algumas das dificuldades atreladas ao processo ensino-aprendizagem deste conteúdo. Para tal, planejou-se uma sequência de aulas em que se explorou o uso de representações mentais, modelos e um jogo didático. O planejamento foi realizado por licenciandas em química e aplicado com alunos do primeiro ano do Ensino Médio em uma escola estadual de Joinville/SC. A exploração e discussão sobre as representações mentais do átomo, a partir de desenhos feitos pelos alunos, mostraram-se importantes para problematizar a ideia da criação de modelos para algo que não se vê, refletindo sobre o papel dos atomistas. O uso dos modelos auxiliou diretamente nessa (re)construção da compreensão acerca de cada modelo atômico estudado. Os jogos didáticos promoveram a participação e curiosidade da turma, proporcionaram melhoras no aprendizado dos alunos a partir da interação estabelecida entre eles, revelando-se ser uma importante ferramenta de avaliação para a aprendizagem. As ferramentas utilizadas mostraram bom potencial para o ensino de modelos atômicos, mas precisam de uma mediação consciente do professor. Conclui-se ser fundamental que o ensino de modelos atômicos seja precedido, ou problematizado concomitantemente, por discussões que tenham por base o uso da linguagem, a exploração da ideia de representação e uso de modelos e analogias, para dar coerência ao aprendizado dos estudantes.
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