The mechanism of photoisomerization of a Re(I) carbonyl-diimine complex under visible-light irradiation is deciphered by means of ab initio calculations. By highlighting the key role of triplet states as well as spin-orbit and vibronic couplings, we provide a clear picture of this complicated multi-step process.
机构:
Univ Sao Paulo, Lab Photochem & Energy Convers, Inst Quim, BR-05508900 Sao Paulo, BrazilUniv Sao Paulo, Lab Photochem & Energy Convers, Inst Quim, BR-05508900 Sao Paulo, Brazil
Morelli Frin, Karina Passalacqua
Itokazu, Melina Kayoko
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Univ Sao Paulo, Lab Photochem & Energy Convers, Inst Quim, BR-05508900 Sao Paulo, BrazilUniv Sao Paulo, Lab Photochem & Energy Convers, Inst Quim, BR-05508900 Sao Paulo, Brazil
Itokazu, Melina Kayoko
Murakami Iha, Neyde Yukie
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Univ Sao Paulo, Lab Photochem & Energy Convers, Inst Quim, BR-05508900 Sao Paulo, BrazilUniv Sao Paulo, Lab Photochem & Energy Convers, Inst Quim, BR-05508900 Sao Paulo, Brazil
机构:
Univ Sao Paulo, Lab Inorgan Photochem & Energy Convers, Inst Quim, BR-05508900 Sao Paulo, BrazilUniv Sao Paulo, Lab Inorgan Photochem & Energy Convers, Inst Quim, BR-05508900 Sao Paulo, Brazil
Patrocinio, Antonio Otavio T.
Iha, Neyde Y. Murakami
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Univ Sao Paulo, Lab Inorgan Photochem & Energy Convers, Inst Quim, BR-05508900 Sao Paulo, BrazilUniv Sao Paulo, Lab Inorgan Photochem & Energy Convers, Inst Quim, BR-05508900 Sao Paulo, Brazil
机构:
Univ Sao Paulo, Lab Photochem & Energy Convers, Inst Quim, BR-05508900 Sao Paulo, BrazilUniv Sao Paulo, Lab Photochem & Energy Convers, Inst Quim, BR-05508900 Sao Paulo, Brazil
Morelli Frin, Karina Passalacqua
Itokazu, Melina Kayoko
论文数: 0引用数: 0
h-index: 0
机构:
Univ Sao Paulo, Lab Photochem & Energy Convers, Inst Quim, BR-05508900 Sao Paulo, BrazilUniv Sao Paulo, Lab Photochem & Energy Convers, Inst Quim, BR-05508900 Sao Paulo, Brazil
Itokazu, Melina Kayoko
Murakami Iha, Neyde Yukie
论文数: 0引用数: 0
h-index: 0
机构:
Univ Sao Paulo, Lab Photochem & Energy Convers, Inst Quim, BR-05508900 Sao Paulo, BrazilUniv Sao Paulo, Lab Photochem & Energy Convers, Inst Quim, BR-05508900 Sao Paulo, Brazil
机构:
Univ Sao Paulo, Lab Inorgan Photochem & Energy Convers, Inst Quim, BR-05508900 Sao Paulo, BrazilUniv Sao Paulo, Lab Inorgan Photochem & Energy Convers, Inst Quim, BR-05508900 Sao Paulo, Brazil
Patrocinio, Antonio Otavio T.
Iha, Neyde Y. Murakami
论文数: 0引用数: 0
h-index: 0
机构:
Univ Sao Paulo, Lab Inorgan Photochem & Energy Convers, Inst Quim, BR-05508900 Sao Paulo, BrazilUniv Sao Paulo, Lab Inorgan Photochem & Energy Convers, Inst Quim, BR-05508900 Sao Paulo, Brazil