X-Ray, NMR, and NQR Investigations of the Crystal Structure and Charge Distribution of Sodium Tetrachloroaluminate, NaAlCl<sub>4</sub>

Scheinert, W.; Weiß, Alarich

doi:10.1515/zna-1976-1115

Cited by 24 publications

(3 citation statements)

References 4 publications

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“…Comparison of the TLS results with the AI-CI bond directions does not show any correlation between the bond direction cosines and the principal axes of libration. Thus no AI-C1 bond plays a dominant part and consequently no particular CI...M + interaction exists, which corroborates the ionic character of all these structures; this conclusion was also reached by Scheinert & Weiss (1976) in their NMR and NQR study of NaA1C14. The A1C14 anion is also consistent with Busing & Levy's riding-motion model, as the thermal motion of the AI atom (centre of mass of the tetrahedral anion) is always lower than that of the CI atoms.…”

Section: Comparison Of the Ai--c! Lengthssupporting

confidence: 68%

“…The structure of this compound is known (Baenziger, 1951) and has been refined (Scheinert & Weiss, 1976) from NMR and NQR studies of a single crystal. The results of our refinement (for conditions see Table 1) are reported in Tables 5, 6 and 7 with a different description of the structure to make the comparison with those of other alkaline salts easier.…”

Section: Naaicimentioning

confidence: 99%

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Comparison of the crystal structures of alkaline (M = Li,Na,K,Rb,Cs) and pseudo-alkaline (M = NO,NH₄) tetrachloroaluminates, MAlCl₄

Mairesse¹,

Barbier²,

Wignacourt³

1979

Acta Crystallogr Sect B

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de ces deux sch+mas ne nous a permis d'interpr&er correctement les valeurs des F o. Ce fait nous a conduit penser que le site 8(b) n'est pas un puits de potentiel pour le thallium. L'occupation de positions 32(e) par le thallium nous avait 6t6 sugg6r6e par des calculs de potentiel 61ectro-statique qui incluaient le terme d'origine dipolaire, ici tr6s important compte tenu de la grande polarisabilit6 du thallium (Fourquet, 1977). La d~termination structurale precise et confirme doric cette hypoth6se; elle permet en outre de corr6ler entre elles d'autres observations sur T1Nb205F: ~t la temperature ambiante l'existence d'une bande de relaxation dipolaire di~lectri-que (Fourquet, 1977) ainsi que le r6tr6cissement tr~s sensible de la largeur de raie du signal RMN du thallium en fonction de la temperature (Sleight, Gulley & Berzins, 1977). Ces deux derniers r~sultats trouvent leur interpretation darts un mouvement des ions thallium darts leurs cages; ceux-ci passeraient d'un type de position 32(e) h un autre avec un temps de relaxation de l'ordre de l0 -5 s. Cette mobilit~ est en relation &roite avec le ph6nom~ne de conduction ionique par le thallium observ~ sur TINbEO5F par Fourquet (1977)et Sleight, Gulley & Berzins (1977 AbstractIn the MA1C14 family, the salts of voluminous cations (NO, NH4, Rb) and CsA1CI 4 have the BaSO 4 barytestype structure (space group Pnma). It is possible to describe the KA1CI 4 (space group P21) and the NaA1CI 4 (space group P212~2~) structures as deformations of this basic structure; the LiAICI 4 structure (space group P2~/c) is built up from LiC16 octahedra 0567-7408/79/071573-08501.00 layers linked together by A1C14 tetrahedra. The mean A1-C1 lengths, corrected for thermal-motion effects, range from 2.141 /~, (NOA1CI4) to 2.150 A (NHaA1CI4).

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Section: Comparison Of the Ai--c! Lengthssupporting

confidence: 68%

Section: Naaicimentioning

confidence: 99%

Comparison of the crystal structures of alkaline (M = Li,Na,K,Rb,Cs) and pseudo-alkaline (M = NO,NH₄) tetrachloroaluminates, MAlCl₄

Mairesse¹,

Barbier²,

Wignacourt³

1979

Acta Crystallogr Sect B

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“…The situation is somewhat different with inorganic compounds where total spin systems can be studied. As an example we consider 23Na27AI35CI4 (Scheinert & Weiss, 1976). In such complex salts, an interesting aspect is the bond character (bond ionicity) and NQR is a valuable method of estimating this along the MO line model developed by Townes & Dailey (1949) and Townes & Schawlow (1955).…”

Section: Single-crystal Nqr In Complex Chemistrymentioning

confidence: 99%

The combination of X-ray diffraction and nuclear quadrupole resonance studies of crystals

Weiss¹

1995

Acta Crystallogr Sect B

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The application of single-crystal Zeeman nuclear quadrupole resonance (NQR) in combination with diffraction studies is discussed. Bond directions and bond angles are found by the Zeeman spectroscopy of NQR, as are symmetry elements of the structures. Centrosymmetry may be differentiated from polar structures. Weak deformations of the valence electron shell by mutual polarization can be recognized and the double-bond character of a bond may be estimated. The method is quite valuable in the study of hydrogen bonds and of dynamics of molecules such as D20 and the groups --CD3 and ND3. Most useful is the method of the combination of X-and N-diffraction because of its sensitivity to the charge distribution around atoms and its location of time scale in dynamical effects.

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The Bond Indium‐Halogen in Isomorphous Complexes A₂InX₅ · H₂O (A = K, NH₄, Rb, Cs; X = Cl, Br). A ³⁵Cl, ^79,81Br, and ¹¹⁵In NQR study

Yamada

Weiß

1983

Ber Bunsenges Phys Chem

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The isomorphous series of complexes A,InX, . H,O (A = K, NH,, Rb, Cs; X = CI, Br) was investigated by "CI, 79*81Br, and '"In nuclear quadrupole resonance spectroscopy. For the bromine compounds the temperature dependence of the NQR spectra was studied in the range 77 5 T/K s 380. Solid state phase transitions are found for K,InBr5 . H 2 0 at T = 145.5 K and for (NH,),InBr, . H 2 0 at T = 82 K. The "Br NQR frequencies are observed between 65 and 80 MHz. At room temperature the "CI NQR frequencies are found in the range 9.8 sv (35Cl)/MHz 5 11.6. The nuclear quadrupole coupling constants 1e2 @z,Qh-l ("'In) [in the compounds vary between 60 MHz and 115 MHz. There is a marked dependence o f ) e 2 @ Q h -' ("'In)Jon cation radius rA and temperature. le2 @,Qh-' ("'In)lincreases with increasing rA. and such a dependence is observed for too. As a function of temperature, t]("'In) goes through 1. On the basis of the semiempirical MO model of Townes and Dailey the covalent character of the bond In-Halogen is estimated. From this the increase of le2 @,Qh-' ("'In) land of v('lBr) is understood to be due to small changes in the bond character with r A and with temperature... -730, Japan. times TI and T2 are very short, causing strong line broaden-Ber. Bunsenges. Phys. Chem. 87, 932-944 (1983) -0

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X-Ray, NMR, and NQR Investigations of the Crystal Structure and Charge Distribution of Sodium Tetrachloroaluminate, NaAlCl₄

Cited by 24 publications

References 4 publications

Comparison of the crystal structures of alkaline (M = Li,Na,K,Rb,Cs) and pseudo-alkaline (M = NO,NH₄) tetrachloroaluminates, MAlCl₄

Comparison of the crystal structures of alkaline (M = Li,Na,K,Rb,Cs) and pseudo-alkaline (M = NO,NH₄) tetrachloroaluminates, MAlCl₄

The combination of X-ray diffraction and nuclear quadrupole resonance studies of crystals

The Bond Indium‐Halogen in Isomorphous Complexes A₂InX₅ · H₂O (A = K, NH₄, Rb, Cs; X = Cl, Br). A ³⁵Cl, ^79,81Br, and ¹¹⁵In NQR study

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X-Ray, NMR, and NQR Investigations of the Crystal Structure and Charge Distribution of Sodium Tetrachloroaluminate, NaAlCl4

Cited by 24 publications

References 4 publications

Comparison of the crystal structures of alkaline (M = Li,Na,K,Rb,Cs) and pseudo-alkaline (M = NO,NH4) tetrachloroaluminates, MAlCl4

Comparison of the crystal structures of alkaline (M = Li,Na,K,Rb,Cs) and pseudo-alkaline (M = NO,NH4) tetrachloroaluminates, MAlCl4

The combination of X-ray diffraction and nuclear quadrupole resonance studies of crystals

The Bond Indium‐Halogen in Isomorphous Complexes A2InX5 · H2O (A = K, NH4, Rb, Cs; X = Cl, Br). A 35Cl, 79,81Br, and 115In NQR study

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X-Ray, NMR, and NQR Investigations of the Crystal Structure and Charge Distribution of Sodium Tetrachloroaluminate, NaAlCl₄

Comparison of the crystal structures of alkaline (M = Li,Na,K,Rb,Cs) and pseudo-alkaline (M = NO,NH₄) tetrachloroaluminates, MAlCl₄

Comparison of the crystal structures of alkaline (M = Li,Na,K,Rb,Cs) and pseudo-alkaline (M = NO,NH₄) tetrachloroaluminates, MAlCl₄

The Bond Indium‐Halogen in Isomorphous Complexes A₂InX₅ · H₂O (A = K, NH₄, Rb, Cs; X = Cl, Br). A ³⁵Cl, ^79,81Br, and ¹¹⁵In NQR study