Molecular structures of cyclic mono- and di-(phosphoranylidene)aminophosphazenes: Small-molecule models for high polymers

Harry R. Allcock, Susan E. Kuharcik, Karyn B. Visscher, Dennis C. Ngo

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Abstract

The molecular structures of four cyclic (phosphoranylidene)aminophosphazenes were determined. These compounds are small-molecule models for the corresponding high polymeric phosphazenes. The solid-state structures of gem-N3P3Cl4[NP(OPh)3]2 4, gem-N3P3(OPh)4[NP(OPh)3]2 5, N3P3(OPh)5NP(OPh)3 6 and N3P3(NHPr)5NP(NHPr)3·HCl 7 were determined by single crystal X-ray diffraction. Structural parameters: 4, triclinic, space group P1, a = 12.900(2), b = 13.035(1), c = 14.349(6) Å, α = 67.85(2), β = 80.68(3), γ = 67.73(1)°, Z = 2; 5, monoclinic, space group P21/n, a = 20.844(12), b = 13.679(3), c = 22.488(4) Å, β = 116.91(3)°, Z = 4; 6, triclinic, space group P1, a = 18.511(11), b = 23.206(26), c = 10.701(4) Å, α = 98.67(5), β = 95.32(4), γ = 97.68(6)°, Z = 4 with two distinct molecular conformations; 7, triclinic, space group P1, a = 13.187(10), b = 14.014(13), c = 14.335(4) Å, α = 96.41(4), β = 115.76(5), γ = 115.12(5)°, Z = 2. Two interesting features of compound 7 are the presence of two long P-N bonds 1.686(9) and 1.676(8) Å, and two narrowed N-P-N angles, 108.9(4) and 109.7(5)°, in the phosphazene ring.

Original languageEnglish (US)
Pages (from-to)2785-2795
Number of pages11
JournalJournal of the Chemical Society, Dalton Transactions
Issue number17
DOIs
StatePublished - Dec 1 1995

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Gems
Molecular structure
Polymers
Molecules
Conformations
Single crystals
X ray diffraction

All Science Journal Classification (ASJC) codes

  • Chemistry(all)

Cite this

@article{b6fba01165f34d0abe6a78e685a167fa,
title = "Molecular structures of cyclic mono- and di-(phosphoranylidene)aminophosphazenes: Small-molecule models for high polymers",
abstract = "The molecular structures of four cyclic (phosphoranylidene)aminophosphazenes were determined. These compounds are small-molecule models for the corresponding high polymeric phosphazenes. The solid-state structures of gem-N3P3Cl4[NP(OPh)3]2 4, gem-N3P3(OPh)4[NP(OPh)3]2 5, N3P3(OPh)5NP(OPh)3 6 and N3P3(NHPr)5NP(NHPr)3·HCl 7 were determined by single crystal X-ray diffraction. Structural parameters: 4, triclinic, space group P1, a = 12.900(2), b = 13.035(1), c = 14.349(6) {\AA}, α = 67.85(2), β = 80.68(3), γ = 67.73(1)°, Z = 2; 5, monoclinic, space group P21/n, a = 20.844(12), b = 13.679(3), c = 22.488(4) {\AA}, β = 116.91(3)°, Z = 4; 6, triclinic, space group P1, a = 18.511(11), b = 23.206(26), c = 10.701(4) {\AA}, α = 98.67(5), β = 95.32(4), γ = 97.68(6)°, Z = 4 with two distinct molecular conformations; 7, triclinic, space group P1, a = 13.187(10), b = 14.014(13), c = 14.335(4) {\AA}, α = 96.41(4), β = 115.76(5), γ = 115.12(5)°, Z = 2. Two interesting features of compound 7 are the presence of two long P-N bonds 1.686(9) and 1.676(8) {\AA}, and two narrowed N-P-N angles, 108.9(4) and 109.7(5)°, in the phosphazene ring.",
author = "Allcock, {Harry R.} and Kuharcik, {Susan E.} and Visscher, {Karyn B.} and Ngo, {Dennis C.}",
year = "1995",
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}

Molecular structures of cyclic mono- and di-(phosphoranylidene)aminophosphazenes : Small-molecule models for high polymers. / Allcock, Harry R.; Kuharcik, Susan E.; Visscher, Karyn B.; Ngo, Dennis C.

In: Journal of the Chemical Society, Dalton Transactions, No. 17, 01.12.1995, p. 2785-2795.

Research output: Contribution to journalArticle

TY - JOUR

T1 - Molecular structures of cyclic mono- and di-(phosphoranylidene)aminophosphazenes

T2 - Small-molecule models for high polymers

AU - Allcock, Harry R.

AU - Kuharcik, Susan E.

AU - Visscher, Karyn B.

AU - Ngo, Dennis C.

PY - 1995/12/1

Y1 - 1995/12/1

N2 - The molecular structures of four cyclic (phosphoranylidene)aminophosphazenes were determined. These compounds are small-molecule models for the corresponding high polymeric phosphazenes. The solid-state structures of gem-N3P3Cl4[NP(OPh)3]2 4, gem-N3P3(OPh)4[NP(OPh)3]2 5, N3P3(OPh)5NP(OPh)3 6 and N3P3(NHPr)5NP(NHPr)3·HCl 7 were determined by single crystal X-ray diffraction. Structural parameters: 4, triclinic, space group P1, a = 12.900(2), b = 13.035(1), c = 14.349(6) Å, α = 67.85(2), β = 80.68(3), γ = 67.73(1)°, Z = 2; 5, monoclinic, space group P21/n, a = 20.844(12), b = 13.679(3), c = 22.488(4) Å, β = 116.91(3)°, Z = 4; 6, triclinic, space group P1, a = 18.511(11), b = 23.206(26), c = 10.701(4) Å, α = 98.67(5), β = 95.32(4), γ = 97.68(6)°, Z = 4 with two distinct molecular conformations; 7, triclinic, space group P1, a = 13.187(10), b = 14.014(13), c = 14.335(4) Å, α = 96.41(4), β = 115.76(5), γ = 115.12(5)°, Z = 2. Two interesting features of compound 7 are the presence of two long P-N bonds 1.686(9) and 1.676(8) Å, and two narrowed N-P-N angles, 108.9(4) and 109.7(5)°, in the phosphazene ring.

AB - The molecular structures of four cyclic (phosphoranylidene)aminophosphazenes were determined. These compounds are small-molecule models for the corresponding high polymeric phosphazenes. The solid-state structures of gem-N3P3Cl4[NP(OPh)3]2 4, gem-N3P3(OPh)4[NP(OPh)3]2 5, N3P3(OPh)5NP(OPh)3 6 and N3P3(NHPr)5NP(NHPr)3·HCl 7 were determined by single crystal X-ray diffraction. Structural parameters: 4, triclinic, space group P1, a = 12.900(2), b = 13.035(1), c = 14.349(6) Å, α = 67.85(2), β = 80.68(3), γ = 67.73(1)°, Z = 2; 5, monoclinic, space group P21/n, a = 20.844(12), b = 13.679(3), c = 22.488(4) Å, β = 116.91(3)°, Z = 4; 6, triclinic, space group P1, a = 18.511(11), b = 23.206(26), c = 10.701(4) Å, α = 98.67(5), β = 95.32(4), γ = 97.68(6)°, Z = 4 with two distinct molecular conformations; 7, triclinic, space group P1, a = 13.187(10), b = 14.014(13), c = 14.335(4) Å, α = 96.41(4), β = 115.76(5), γ = 115.12(5)°, Z = 2. Two interesting features of compound 7 are the presence of two long P-N bonds 1.686(9) and 1.676(8) Å, and two narrowed N-P-N angles, 108.9(4) and 109.7(5)°, in the phosphazene ring.

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