Tris(o-phenylenedioxy)cyclotriphosphazene: The Clathration-Induced Monoclinic to Hexagonal Solid-State Transition

Harry R. Allcock, Michael L. Levin, Robert R. Whittle

Research output: Contribution to journalArticle

65 Citations (Scopus)

Abstract

Tris(o-phenylenedioxy)cyclotriphosphazene (I) is known to clathrate a variety of small molecules. The clathration process coincides with a solid-state transformation of the host from a monoclinic, guest-free form to a hexagonal, guest-containing modification, a process that involves a 23% volume expansion. The transition occurs in response to improved opportunities for van der Waals attraction as guest molecules enter the lattice. Scanning electron microscopy revealed that considerable crystal disruption occurs during the transition. The resultant microcrystallites were fairly uniform in size and morphology. Crystals of I are monoclinic, space group P21/n, with eight formula units in a unit cell of dimensions a = 25.086 (5) Å, b = 5.911 (2) Å, c = 25.913 (7) Å, and β = 95.97 (2)°. The water adduct of I (II), crystallizes in the hexagonal space group P63/m with two molecules in a unit cell of dimensions a = 11.606 (4) and c = 10.087 (3) Å. Both structures were solved by direct methods and refined by full-matrix least-squares calculations to R = 0.075 and Rw= 0.082 for 2341 reflections for I and to R = 0.050 and Rw= 0.056 for 287 reflections for II.

Original languageFrench
Pages (from-to)41-47
Number of pages7
JournalInorganic chemistry
Volume25
Issue number1
DOIs
StatePublished - Jan 1986

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solid state
Molecules
molecules
Crystals
clathrates
cells
Crystal lattices
adducts
attraction
crystals
Scanning electron microscopy
scanning electron microscopy
expansion
Water
matrices
water
tris(o-phenylenedioxy)cyclotriphosphazene

All Science Journal Classification (ASJC) codes

  • Physical and Theoretical Chemistry
  • Inorganic Chemistry

Cite this

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title = "Tris(o-phenylenedioxy)cyclotriphosphazene: The Clathration-Induced Monoclinic to Hexagonal Solid-State Transition",
abstract = "Tris(o-phenylenedioxy)cyclotriphosphazene (I) is known to clathrate a variety of small molecules. The clathration process coincides with a solid-state transformation of the host from a monoclinic, guest-free form to a hexagonal, guest-containing modification, a process that involves a 23{\%} volume expansion. The transition occurs in response to improved opportunities for van der Waals attraction as guest molecules enter the lattice. Scanning electron microscopy revealed that considerable crystal disruption occurs during the transition. The resultant microcrystallites were fairly uniform in size and morphology. Crystals of I are monoclinic, space group P21/n, with eight formula units in a unit cell of dimensions a = 25.086 (5) {\AA}, b = 5.911 (2) {\AA}, c = 25.913 (7) {\AA}, and β = 95.97 (2)°. The water adduct of I (II), crystallizes in the hexagonal space group P63/m with two molecules in a unit cell of dimensions a = 11.606 (4) and c = 10.087 (3) {\AA}. Both structures were solved by direct methods and refined by full-matrix least-squares calculations to R = 0.075 and Rw= 0.082 for 2341 reflections for I and to R = 0.050 and Rw= 0.056 for 287 reflections for II.",
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Tris(o-phenylenedioxy)cyclotriphosphazene : The Clathration-Induced Monoclinic to Hexagonal Solid-State Transition. / Allcock, Harry R.; Levin, Michael L.; Whittle, Robert R.

In: Inorganic chemistry, Vol. 25, No. 1, 01.1986, p. 41-47.

Research output: Contribution to journalArticle

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AB - Tris(o-phenylenedioxy)cyclotriphosphazene (I) is known to clathrate a variety of small molecules. The clathration process coincides with a solid-state transformation of the host from a monoclinic, guest-free form to a hexagonal, guest-containing modification, a process that involves a 23% volume expansion. The transition occurs in response to improved opportunities for van der Waals attraction as guest molecules enter the lattice. Scanning electron microscopy revealed that considerable crystal disruption occurs during the transition. The resultant microcrystallites were fairly uniform in size and morphology. Crystals of I are monoclinic, space group P21/n, with eight formula units in a unit cell of dimensions a = 25.086 (5) Å, b = 5.911 (2) Å, c = 25.913 (7) Å, and β = 95.97 (2)°. The water adduct of I (II), crystallizes in the hexagonal space group P63/m with two molecules in a unit cell of dimensions a = 11.606 (4) and c = 10.087 (3) Å. Both structures were solved by direct methods and refined by full-matrix least-squares calculations to R = 0.075 and Rw= 0.082 for 2341 reflections for I and to R = 0.050 and Rw= 0.056 for 287 reflections for II.

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