Infrared Absorption Spectra of Sodium Pentacyanonitrosylosmate(II) Dihydrate in Two Excited Electronic Metastable States

Gueida, J. A.; Piro, Oscar E.; Aymonino, P. J.

doi:10.1021/ic00120a015

Cited by 60 publications

(38 citation statements)

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“…To the best of our knowledge, the decay temperatures of MS2 in the I and III are the highest to date among complexes where thermal stability of MS1 is higher than that for MS2. The previously described complexes [RuNO(NH 3 ) 5 ]Cl 55 the reverse behavior of thermal stability of metastable states was shown, i.e. the T d of MS2 is higher than the T d of MS1.…”

Section: Photoinduced Nitrosyl Ligand Isomerizationmentioning

confidence: 76%

Nitrosyl linkage photoisomerization in heteroleptic fluoride ruthenium complexes derived from labile nitrate precursors

et al. 2021

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Section: Photoinduced Nitrosyl Ligand Isomerizationmentioning

confidence: 76%

Nitrosyl linkage photoisomerization in heteroleptic fluoride ruthenium complexes derived from labile nitrate precursors

et al. 2021

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“…Several Ru-and transition metal-including related materials such as X n [ML m NO] Á YH 2 O (M: the central transition metal atom, L m : the ligands, X n : cations or anions, and Y: number of water ligands) have been investigated and those exhibiting similar behavior [23][24][25][26][27][28][29] have been discovered.…”

Section: Introductionmentioning

confidence: 99%

Theoretical study on the structure of the ground state and photo-induced metastable states of [M(CN)₅NO]²⁻ (M = Ru, Fe), and mechanism of the photo-rearrangement among them

Ishikawa¹,

Tanaka²

2008

Zeitschrift Für Kristallographie - Crystalline Materials

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Theory / Ab initio multi-configuration calculation / Photo-induced metastable states / Photo-rearrangement / Metal nitrosyl complex Abstract. In this note, we reviewed theoretical investigations of the photo-induced metastable states and discussed possible photo-rearrangement paths in [M(CN) 5 NO] 2À (M ¼ Fe and Ru). Using calculated results of ab initio multi-reference single and double excitation configuration interaction calculations with Davidson type quadruple correction (MRSDCI þ Q) and those of density fuctional theory (DFT), we showed that the two metastable states (MS1 and MS2) were local minima of the electronic ground state potential surface. The theoretical calculations supported the experimental observation of the structure of the three isomers (GS, MS1 and MS2), relative stability of MS1 and MS2. We discussed the character of the lower electronic excited states and excitation energies of the three isomers of both compounds. Based on these results and excited state adiabatic potential energy surfaces, possible mechanism of photo-rearrangement among GS, MS1, and MS2 were discussed with the aid of our results on [Mn(CN) 5 NO] 3À of which no photo-rearrangement has been reported.

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“…In crystalline SNP at temperatures below 140 K, the metastable states have lifetimes greater than 10 4 s 24. Because of this property, this compound might be used as material for memory devices, in which information can be written by blue light and erased by red light, or energy storage and attracted therefore the interest of many researchers 25–27. Despite extensive studies, the nature of the two metastable states has been for a long time been the subject of debate.…”

Section: Introductionmentioning

confidence: 99%

Density functional study of nitroprusside: Mechanism of the photochemical formation and deactivation of the metastable states

Buchs

Daul

Manoharan

et al. 2002

Int J of Quantum Chemistry

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ABSTRACT:In this article, we present a theoretical investigation about the mechanism of the photochemical formation and deactivation of the metastable states observed in nitroprusside ions. The quantum chemical calculations are based on density functional theory. The peculiar photochemical and photophysical behavior of this molecule has attracted chemists' interest for a while. Due to this interest, many details on the nature of nitroprusside's ground state and its two metastable states were known. However, a clear picture of the reaction pathways between the three minima on the ground-state potential energy curve was still missing. By studying the excited states corresponding to all three minima, we could set up, in this work, a model explaining the photochemistry and photophysics responsible for the population of the three different states on the ground-state potential energy curve.

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Infrared Absorption Spectra of Sodium Pentacyanonitrosylosmate(II) Dihydrate in Two Excited Electronic Metastable States

Cited by 60 publications

References 0 publications

Nitrosyl linkage photoisomerization in heteroleptic fluoride ruthenium complexes derived from labile nitrate precursors

Nitrosyl linkage photoisomerization in heteroleptic fluoride ruthenium complexes derived from labile nitrate precursors

Theoretical study on the structure of the ground state and photo-induced metastable states of [M(CN)₅NO]²⁻ (M = Ru, Fe), and mechanism of the photo-rearrangement among them

Density functional study of nitroprusside: Mechanism of the photochemical formation and deactivation of the metastable states

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Infrared Absorption Spectra of Sodium Pentacyanonitrosylosmate(II) Dihydrate in Two Excited Electronic Metastable States

Cited by 60 publications

References 0 publications

Nitrosyl linkage photoisomerization in heteroleptic fluoride ruthenium complexes derived from labile nitrate precursors

Nitrosyl linkage photoisomerization in heteroleptic fluoride ruthenium complexes derived from labile nitrate precursors

Theoretical study on the structure of the ground state and photo-induced metastable states of [M(CN)5NO]2− (M = Ru, Fe), and mechanism of the photo-rearrangement among them

Density functional study of nitroprusside: Mechanism of the photochemical formation and deactivation of the metastable states

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Theoretical study on the structure of the ground state and photo-induced metastable states of [M(CN)₅NO]²⁻ (M = Ru, Fe), and mechanism of the photo-rearrangement among them