Investigation of solid-state photochemical nitro-nitrito linkage isomerization: Crystal structures of trans -bis(ethylenediamine)(isothiocyanato)nitritocobalt(III) salts: Thiocyanate, chloride monohydrate, and perchlorate-thiocyanate(0.75/0.25)

Shigeru Ohba, Masanobu Tsuchimoto, Saeko Kurachi

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3 Citations (Scopus)

Abstract

The reaction cavities of the nitro groups in the crystals of the title compounds, trans-[Co(NO 2)(NCS)(C 2 H 8 N 2) 2 ]·X, X = SCN - (I), Cl - ·H 2 O (II), and (ClO 4 -) 0.75 (SCN -) 0.25 (III), have been investigated, revealing that the geometry of the intermolecular N - H⋯O hydrogen bonds in (I) is unsuitable for nitro-nitrito photo-isomerization. The common main building block of these crystal structures is a centrosymmetric pair of complex cations connected by pairwise N - H⋯O(nitro) hydrogen bonds forming an R 2 2 (4) ring, which is a narrow diamond shape in (I) but is approximately square in (II) and (III). The structure of (I) was reported earlier [Börtin (1976). Acta Chem. Scand. A, 30, 503-506] but is described here with an improved disorder model for the thiocyanate anions and to higher precision.

Original languageEnglish
Pages (from-to)1526-1531
Number of pages6
JournalActa Crystallographica Section E: Crystallographic Communications
Volume74
DOIs
Publication statusPublished - 2018 Jan 1

Fingerprint

ethylenediamine
Isomerization
perchlorates
linkages
isomerization
Chlorides
Hydrogen bonds
Salts
Crystal structure
chlorides
hydrogen bonds
salts
solid state
Photoisomerization
Diamond
crystal structure
Anions
Cations
Diamonds
Negative ions

Keywords

  • complex ion
  • crystal structure
  • nitro-nitrito photo-isomerization
  • reaction cavity

ASJC Scopus subject areas

  • Chemistry(all)
  • Materials Science(all)
  • Condensed Matter Physics

Cite this

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title = "Investigation of solid-state photochemical nitro-nitrito linkage isomerization: Crystal structures of trans -bis(ethylenediamine)(isothiocyanato)nitritocobalt(III) salts: Thiocyanate, chloride monohydrate, and perchlorate-thiocyanate(0.75/0.25)",
abstract = "The reaction cavities of the nitro groups in the crystals of the title compounds, trans-[Co(NO 2)(NCS)(C 2 H 8 N 2) 2 ]·X, X = SCN - (I), Cl - ·H 2 O (II), and (ClO 4 -) 0.75 (SCN -) 0.25 (III), have been investigated, revealing that the geometry of the intermolecular N - H⋯O hydrogen bonds in (I) is unsuitable for nitro-nitrito photo-isomerization. The common main building block of these crystal structures is a centrosymmetric pair of complex cations connected by pairwise N - H⋯O(nitro) hydrogen bonds forming an R 2 2 (4) ring, which is a narrow diamond shape in (I) but is approximately square in (II) and (III). The structure of (I) was reported earlier [B{\"o}rtin (1976). Acta Chem. Scand. A, 30, 503-506] but is described here with an improved disorder model for the thiocyanate anions and to higher precision.",
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author = "Shigeru Ohba and Masanobu Tsuchimoto and Saeko Kurachi",
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T1 - Investigation of solid-state photochemical nitro-nitrito linkage isomerization

T2 - Crystal structures of trans -bis(ethylenediamine)(isothiocyanato)nitritocobalt(III) salts: Thiocyanate, chloride monohydrate, and perchlorate-thiocyanate(0.75/0.25)

AU - Ohba, Shigeru

AU - Tsuchimoto, Masanobu

AU - Kurachi, Saeko

PY - 2018/1/1

Y1 - 2018/1/1

N2 - The reaction cavities of the nitro groups in the crystals of the title compounds, trans-[Co(NO 2)(NCS)(C 2 H 8 N 2) 2 ]·X, X = SCN - (I), Cl - ·H 2 O (II), and (ClO 4 -) 0.75 (SCN -) 0.25 (III), have been investigated, revealing that the geometry of the intermolecular N - H⋯O hydrogen bonds in (I) is unsuitable for nitro-nitrito photo-isomerization. The common main building block of these crystal structures is a centrosymmetric pair of complex cations connected by pairwise N - H⋯O(nitro) hydrogen bonds forming an R 2 2 (4) ring, which is a narrow diamond shape in (I) but is approximately square in (II) and (III). The structure of (I) was reported earlier [Börtin (1976). Acta Chem. Scand. A, 30, 503-506] but is described here with an improved disorder model for the thiocyanate anions and to higher precision.

AB - The reaction cavities of the nitro groups in the crystals of the title compounds, trans-[Co(NO 2)(NCS)(C 2 H 8 N 2) 2 ]·X, X = SCN - (I), Cl - ·H 2 O (II), and (ClO 4 -) 0.75 (SCN -) 0.25 (III), have been investigated, revealing that the geometry of the intermolecular N - H⋯O hydrogen bonds in (I) is unsuitable for nitro-nitrito photo-isomerization. The common main building block of these crystal structures is a centrosymmetric pair of complex cations connected by pairwise N - H⋯O(nitro) hydrogen bonds forming an R 2 2 (4) ring, which is a narrow diamond shape in (I) but is approximately square in (II) and (III). The structure of (I) was reported earlier [Börtin (1976). Acta Chem. Scand. A, 30, 503-506] but is described here with an improved disorder model for the thiocyanate anions and to higher precision.

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