Structure of calcium chloride–sarcosine (1/3), CaCl2.3C3H7NO2, in the ferroelectric phase

Mishima, Naoyuki; Itoh, K.; Nakamura, Eiichi

doi:10.1107/s0108270184009707

Cited by 20 publications

(11 citation statements)

References 6 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…The crystal structure was reported by Ashida et al (1972) at ambient conditions in the centrosymmetric space group Pnma. Later, Mishima et al (1984) have found a phase transition to a non-centrosymmetric, ferroelectric phase at 127K. The ferroelectric structure has symmetry Pn2 1 a.…”

Section: Other Nonstandard Amino Acidsmentioning

confidence: 98%

Compounds of Amino Acids and Neutral Salts

Fleck

Petrosyan

2014

Salts of Amino Acids

View full text Add to dashboard Cite

In this chapter we present salts composed of amino acids combined with inorganic cations and anions. These salts generally contain amino acids in neutral, i.e., zwitterionic form, with the charges balanced by the cations and anions. However, some of the phases resented here contain cations, anions, and amino acids, but the amino acids are not in neutral form, as, e.g., glycinate À Cu, but for reasons of similarity, they are included in this chapter. The variation of salts (and thus the number of species) is even greater as for salts of amino acids and cations, as a multitude of combinations of amino acids, cations, and anions is possible. Additionally, different hydration states are often found, as well as different ratios of components. Thus, there are several instances of systems containing more than one phase (e.g., the system glycine-zinc-chloride-water). Despite the greater variation, many coordination patterns found in the salts described in the previous chapter recur in the salts reported here. Likewise, the connectivities of units are similar as those found in salts of amino acids and cations. Instances of materials with noteworthy physical properties are presented. Keywords Introducing RemarksAs stated before, this chapter deals with salts of amino acids and neutral, inorganic salts. In these species, the amino acid usually exists in zwitterionic form, but it is still coordinated to a cation. As other anions are present, the amino acids are not the only possible ligands. These anions can act as additional ligands (plus possible water molecules as well). Moreover, in some cases the inorganic anions are not part of the coordination spheres, but located in the interstices between units composed of cations and coordinating amino acids.M. Fleck and A.M. Petrosyan, Salts of Amino Acids: Crystallization, Structure and Properties,

show abstract

Section: Other Nonstandard Amino Acidsmentioning

confidence: 98%

Compounds of Amino Acids and Neutral Salts

Fleck

Petrosyan

2014

Salts of Amino Acids

View full text Add to dashboard Cite

show abstract

“…6). Examples of the first subtype are Sar 2 ÁMnCl 2 Á2H 2 O (Rzaczynska et al, 2002) (Silva et al, 2001) [an analogue of GlyÁNiCl 2 Á2H 2 O (Fleck & Bohatý, 2004) and GlyÁMnCl 2 Á2H 2 O (Clegg et al, 1987)] and Sar 3 ÁCaCl 2 (Mishima et al, 1984) (similar to Gly 3 ÁCeCl 3 ; Fleck, Held et al, 2008). It is noteworthy that the structures of SarÁMnCl 2 Á2H 2 O and GlyÁMnCl 2 Á2H 2 O are so closely related that even the unitcell parameters agree reasonably well (allowing for the additional CH 3 group of sarcosine), confirming that the crystal structures are not merely topologically similar.…”

Section: Figurementioning

confidence: 99%

“…Services for accessing these data are described at the back of the journal. Mishima et al (1984) and Ashida et al (1972) Symmetry codes: (i) x; Ày; z þ 1 2 ; (ii) x; y; z þ 1; (iii) Àx; y; Àz þ 3 2 ; (iv) Àx þ 1 2 , Ày þ 1 2 ; Àz þ 2; (v) Àx þ 1 2 ; Ày þ 1 2 ; Àz þ 1. Special details Experimental.…”

Section: Data Collectionmentioning

confidence: 99%

Diaquaiodidotetrasarcosinepotassium: an overview of sarcosine metal halogenide structures

Fleck

Ghazaryan²,

Petrosyan³

2012

Acta Crystallogr C

View full text Add to dashboard Cite

The monoclinic crystal structure of tetrasarcosine potassium iodide dihydrate {or catena-poly[[potassium-tetra-μ-sarcosine-κ(4)O:O';κ(4)O:O] iodide dihydrate]}, {[K(C(3)H(7)NO(2))(4)]I·2H(2)O}(n) or Sar(4)·KI·2H(2)O (space group C2/c), comprises two crystallographically different sarcosine molecules and one water molecule on general positions, and one K(+) cation and one I(-) anion located on twofold axes. The irregular eight-coordinated K(+) polyhedra are connected into infinite chains along [001] via sarcosine molecules. This compound is the first sarcosine metal halogenide salt with a 4:1 ratio. A short overview of other sarcosine metal halogenide salts is presented and relationships to similar glycine salts are discussed.

show abstract

“…Sarcosine, also known as N-methylglycine (CH 3 NH 2 + CH2OO) − , is a natural amino acid inhibiting two hydrogen atoms which are located at the nitrogen atom. ere have been several reports investigating qualitatively the crystal structure of sarcosine in pure [9] and made on several crystalline complexes with organic and inorganic acids derivatives [10][11][12][13][14][15][16][17]. is amino acid is found naturally in star�sh, sea urchins and in the antibiotic actinomycin [18], and is also used in certain cosmetics [19].…”

Section: Introductionmentioning

confidence: 99%

NLO and NBO Analysis of Sarcosine‐Maleic Acid by Using HF and B3LYP Calculations

Günay

Pir

Avcı

et al. 2012

Journal of Chemistry

View full text Add to dashboard Cite

We report a theoretical study on molecular structure, vibrational spectra, nonlinear optical (NLO), and natural bond orbital (NBO) analysis of sarcosine-maleic acid (C7H11NO6) in the ground state calculated by using the Hartree-Fock (HF) and density functional method (DFT/B3LYP) with 6–31++G(d,p) basis set. We repeat NBO calculations with 6–31G(d,p) basis set so as to see the diffuse function impact on NBO analysis. Stability of the molecule arising from hyper conjugative interactions and charge delocalization has been analyzed using NBO analysis. NBO analysis shows that there is a O–H⋯O and N–H⋯O hydrogen bond in the title compound, which is consistent with the conclusion obtained by the analysis of molecular structure. The calculated HOMO and LUMO energies show that charge transfer occurs within the molecule. Also, these results are supported by the NLO parameters. Finally, the calculated results were applied to simulate infrared and Raman spectra of the title compound which showed good agreement with experimental ones.

show abstract

Structure of calcium chloride–sarcosine (1/3), CaCl2.3C3H7NO2, in the ferroelectric phase

Abstract: Abstract. Mr=378.3, orthorhombic, Pn2,a, a= 9. 122 (4), b = 17.408 (4), e= 10

Cited by 20 publications

References 6 publications

Compounds of Amino Acids and Neutral Salts

Compounds of Amino Acids and Neutral Salts

Diaquaiodidotetrasarcosinepotassium: an overview of sarcosine metal halogenide structures

NLO and NBO Analysis of Sarcosine‐Maleic Acid by Using HF and B3LYP Calculations

Contact Info

Product

Resources

About