Dirubidium(I) cyclooctatetraenide–1-methoxy-2-(2-methoxyethoxy)ethane

Noordik, J. H.; Degens, H. M. L.; Mooij, J. J.

doi:10.1107/s0567740875007066

Cited by 17 publications

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“…dg and Rb2COT. dg crystallize in the orthorhombic space group Pnma and are isomorphous [6,8]. Figure 1 shows a projection along the b axis of the structure of K2COT 9 dg.…”

Section: Crystal Structures Of the Host Latticesmentioning

confidence: 98%

“…The crystal structures of M2COT 9 dg (M= K, or Rb) and K2TMCOT 9 2dg are known and have been reported [6,8,9]. K2COT.…”

Section: Crystal Structures Of the Host Latticesmentioning

confidence: 98%

“…Essentially, each of the carbon atom coulomb integrals is modified to take into account the presence of the nearest neighbour cations. The positions of the cations relative to the COT monoanion were obtained from the single crystal structural data previously published [6,8]. The mirror plane which is defined by the four nearest neighbour alkali metal ions passes through carbon atoms 1 and 5 of the COT ring.…”

Section: R-molecular Orbital Energies and Unpaired Charge (Spin) Denmentioning

confidence: 99%

“…But no matter how fruitful the results of such studies, there is always the element of uncertainty because the studies have been performed in solution and on species whose exact structures can not be known precisely. Therefore, recent studies of aromatic hydrocarbon anions in the solid state, especially in single cr)rsta!s [2][3][4][5][6][7][8][9][10][11][12][13], are of considerable significance. An important result of the single crystal studies is that the conclusions derived from them are consistent with the conclusions drawn from previously reported investigations of ion pair phenomena in solution.…”

mentioning

confidence: 99%

“…spectroscopy of cyclooctatetraene (COT) and 1,3,5,7-tetramethylcyclooctatetraene (TMCOT) monoanion radicals oriented in single crystals of dialkali metal cyclooctatetraene diglyme (M2COT 9 dg) [6][7][8], where M= K, Rb or Cs, and dipotassium 1,3,5,7-tetramethylcyclooctatetraene bis(diglyme) (K~TMCOT 2. dg) [9], respectively. In particular, we present theoretical calculations which explain why, as previously found experimentally, the equilibrium position of the COT monoanion in single crystals of M2COT 9 dg at low temperatures is rotated about its D s symmetry axis by an angle of 22.5 ~ relative to the equilibrium position of the COT dianion [7].…”

mentioning

confidence: 99%

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An experimental and theoretical study of the low temperature E.S.R. of the cyclooctatetraene and tetramethylcyclooctatetraene anion radicals-in single crystal environments

Jones

Boer²

1982

Molecular Physics

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Experimental and theoretical investigations are reported of the E.S.R. spectroscopy of cyclooctatetraene (COT) and 1,3,5,7-tetramethylcyclooctatetraene (TMCOT) monoanion radicals oriented in single crystals of dialkali metal cyclooctatetraene diglyme (MzCOT. dg), Where M= K, Rb or Cs, and dipotassium 1,3,5,7-tetramethylcyclooctatetraene bis(diglyme) (K~TMCOT-2dg), respectively. Theoretical calculations are presented which explain why, as previously found experimentally, the equilibrium position of the COT monoanion in single crystals of M2COT. dg at low temperatures is rotated about its D 8 symmetry axis by an angle of 22.5 ~ relative to the equilibrium position of the COT dianion. Also presented are calculations of the ion-pair association energies (due to the electrostatic interactions of the nearest neighbour alkali metal ions and COT monoanion) which show that (a) the orbital degeneracy of the free, unperturbed COT monoanion is removed and (b) the lowest energy state of the COT monoanion (in agreement with experiment) is antisymmetric with respect to reflection through a mirror plane perpendicular to the COT molecular plane. Measurements of the values of the principal components of the g-tensor of the oriented COT monoanion are also reported. They show that only one component (gzz) is dependent upon temperature. These observations are contrasted with the situation for the TMCOT monoanion for which all three principal components of the g-tensor are found to be independent of temperature. Calculations of the values of the principal components of the g-tensor for the COT and TMCOT monoanions are presented. It is shown that, for the COT monoanion, the sign of the change in gzz with temperature, as well as the change itself, can be accounted for if interactions between the COT monoanion and the nearest neighbour alkali metal ions are explicitly taken into account.

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“…dg and Rb2COT. dg crystallize in the orthorhombic space group Pnma and are isomorphous [6,8]. Figure 1 shows a projection along the b axis of the structure of K2COT 9 dg.…”

Section: Crystal Structures Of the Host Latticesmentioning

confidence: 98%

“…The crystal structures of M2COT 9 dg (M= K, or Rb) and K2TMCOT 9 2dg are known and have been reported [6,8,9]. K2COT.…”

Section: Crystal Structures Of the Host Latticesmentioning

confidence: 98%

Section: R-molecular Orbital Energies and Unpaired Charge (Spin) Denmentioning

confidence: 99%

mentioning

confidence: 99%

mentioning

confidence: 99%

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An experimental and theoretical study of the low temperature E.S.R. of the cyclooctatetraene and tetramethylcyclooctatetraene anion radicals-in single crystal environments

Jones

Boer²

1982

Molecular Physics

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„cis‐Diaza‐bis‐σ‐homobenzole”︁ ([_π2_s + _σ2_s + _σ2_s]‐Cycloreversion) – 1,4‐Dihydro‐1,4‐diazocine („Aromatizität”︁)

et al. 1980

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Ausgehend von ,,cis-Benzoltriimin" (3) werden mit 90 -40% Ausbeute die N,N'-disubstituierten Derivate 8 b -f hergestellt. Nitrosierung zu den unterhalb -30 "C 'H-NMR-spektroskopisch identifizierten N-Nitrosoverbindungen 10b -f und N20-Eliminierung fuhren zu den cis-Diazabis-a-homobenzolen (,,cis-Benzoldiiminen") 11 b -f. Deren [,2, + .2, + a2,]-Cycloreversion zu den 1,4-disubstituierten 1,4-Dihydro-1,4-diazocinen 14b -e (11 f liefert -uber 14f? -nur Polymere) ist je nach Art der N-Substitution derart schnell, da8 unter den milden Herstellungsbedin- ( l l f yieldsonly -via 14f? -polymers). With& = 97 + 2 kJ . mol-' (logA = 11.7; AH* = 92 f 2 kJ . mol-'; AS* = -31 f 6 J . K-' . mol-') the most stable cis-benzene diimine l l b is clearly more labile than cis-benzene dioxide. From 14d the diazocine dianion 16 is obtainable by conventional means. The 1,4-dihydro-1 ,4-diazocine parent molecule 5 obtained by protonation of 16 is stable towards acid and base. From this and from systematic 'H-and 13C NMR studies it is concluded, that 5 and its donor-substituted derivatives 14e,g as well as its dianion 16 have a planar structure with strong 10-electron delocalisation (,,aromatic" diaza[8]annulenes) whilst the acceptor-substituted derivatives 14 b -d prefer the twist-boat-chair conformation and are therefore not diatropic.

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Structural Study of Alkaline 1‐Phenyl‐1H‐1, 2, 3, 4‐tetrazole‐5‐thiolate Salts: An Example of Periodicity in Alkaline Cations

Hernández‐Arganis

Toscano

Moya‐Cabrera

et al. 2004

Zeitschrift anorg allge chemie

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The alkaline 1-phenyl-1H-1, 2, 3, 4-tetrazole-5-thiolate salts, M[C 6 H 5 N 4 CS] (M ϭ Li (1), Na (2), K (3), Rb (4) and Cs (5)) were obtained and characterized by means of mass spectrometry (FAB ϩ ) and NMR ( 1 H; 13 C) spectroscopy. The structures of Na (2), K (3), Rb (4) and Cs (5) compounds were determined by Xray diffraction methods. The ligand shows a rich variety of coordination patterns with the alkaline cations. The formation of a four- (1), Na (2), K (3), Rb (4) und Cs (5)) wurden hergestellt und durch Massenspektrometrie (FAB ϩ ) und NMR-Spektroskopie ( 1 H, 13 C) charakterisiert. Die Strukturen von 2, 3, 4 und 5 wurden röntgenographisch ermittelt. Die Ligandionen zeigen eine reichhaltige Variation des Koordinationsverhal-1627 membered ring MSCN in the compounds with heavier alkali cations (K, Rb and Cs) is shown. In all the cations the coordination number around it increases with the ionic radius. Compounds with Cs ϩ and Rb ϩ exhibited the formation of Cs-C and Rb-C interactions with the phenyl group. Keywords: Alkali metals; Phenylthiotetrazol; Crystal structure. tens mit den Alkalimetallionen. In den Verbindungen mit den Kationen K ϩ , Rb ϩ und Cs ϩ liegen viergliedrige Ringe MSCN vor. Die Koordinationszahl an den Kationen steigt mit der Größe des Ionenradius an. Die Verbindungen mit Rb ϩ und Cs ϩ weisen Rb···Cund Cs···C-Kontakte mit der Phenylgruppe auf. Strukturuntersuchungen an Alkali-1-Phenyl-1H-1,2,3,4-tetrazol-5-thiolat-Salzen: Ein Beispiel der Periodizität von Alkalimetallionen

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Dirubidium(I) cyclooctatetraenide–1-methoxy-2-(2-methoxyethoxy)ethane

Cited by 17 publications

References 0 publications

An experimental and theoretical study of the low temperature E.S.R. of the cyclooctatetraene and tetramethylcyclooctatetraene anion radicals-in single crystal environments

An experimental and theoretical study of the low temperature E.S.R. of the cyclooctatetraene and tetramethylcyclooctatetraene anion radicals-in single crystal environments

„cis‐Diaza‐bis‐σ‐homobenzole”︁ ([_π2_s + _σ2_s + _σ2_s]‐Cycloreversion) – 1,4‐Dihydro‐1,4‐diazocine („Aromatizität”︁)

Structural Study of Alkaline 1‐Phenyl‐1H‐1, 2, 3, 4‐tetrazole‐5‐thiolate Salts: An Example of Periodicity in Alkaline Cations

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Dirubidium(I) cyclooctatetraenide–1-methoxy-2-(2-methoxyethoxy)ethane

Cited by 17 publications

References 0 publications

An experimental and theoretical study of the low temperature E.S.R. of the cyclooctatetraene and tetramethylcyclooctatetraene anion radicals-in single crystal environments

An experimental and theoretical study of the low temperature E.S.R. of the cyclooctatetraene and tetramethylcyclooctatetraene anion radicals-in single crystal environments

„cis‐Diaza‐bis‐σ‐homobenzole”︁ ([π2s + σ2s + σ2s]‐Cycloreversion) – 1,4‐Dihydro‐1,4‐diazocine („Aromatizität”︁)

Structural Study of Alkaline 1‐Phenyl‐1H‐1, 2, 3, 4‐tetrazole‐5‐thiolate Salts: An Example of Periodicity in Alkaline Cations

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„cis‐Diaza‐bis‐σ‐homobenzole”︁ ([_π2_s + _σ2_s + _σ2_s]‐Cycloreversion) – 1,4‐Dihydro‐1,4‐diazocine („Aromatizität”︁)