Crystalline features of 4,4'-isopropylidenediphenylbis(phenyl carbonate) and conformational analysis of the polycarbonate of 2,2-bis(4-hydroxyphenyl)propane

Pérez, Serge; Scaringe, Raymond P.

doi:10.1021/ma00167a014

Cited by 58 publications

(74 citation statements)

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“…Neighbouring phenylene rings in different chains were assumed to be roughly orthogonal. The intramolecular structure of the polycarbonate 0 chain on a 5 A scale was assumed to adopt a similar conformation as in the crystalline state of DPBC [23]. These results clearly disagree with the findings of Hutnik et al, [24], No direct observation of the conformational statistics in the glassy state has, to our knowledge, been reported in literature.…”

Section: Introductioncontrasting

confidence: 80%

“…We take the values given in [23] that were determined from single-crystal X-ray measurements on DPBC, a low-molecular-weight analogue of PC. The approximate orientation of the CSA principal axes relative to a molecular frame can also be inferred from crystalline low-molecular-weight compounds which has to be verified on a case-by-case basis.…”

Section: Two-dimensional Homonuclear Separated-local-field Experimentsmentioning

confidence: 99%

“…Again, on the basis of empirical force field calculations, Sundararajan [22] proposed a wide range of accessible conformations for the D P P segment with the restriction that the variations of the rotational angles < px and < p^ (figure 1) are synchronized such that the angle between the two phenylene-ring planes is close to 90°. Perez and Scaringe [23] analysed in detail the crystalline structure of 4,4'-isopropylidendiphenylbis(phenyl carbonate) (DPBC). The phenyl rings in D P B C adopt predominantly a perpendicular arrange ment with respect to the adjacent planar carbonate group, which is at variance with the findings of Erman et al [21] in D PC .…”

Section: Introductionmentioning

confidence: 99%

“…The phenyl rings in D P B C adopt predominantly a perpendicular arrange ment with respect to the adjacent planar carbonate group, which is at variance with the findings of Erman et al [21] in D PC . The (cis, trans) state of the carbonate subunit was included in their analysis of the single-chain conformation in the amorphous polymer based on the magnitude of the intermolecular interactions in the packed amorphous structure [23], This view was also supported by theoretical studies of other workers [24][25][26][27]. Hutnik et al [24] generated atomistically detailed model structures of polycarbonate based on the amorphous cell approach [3] and found a relative amount of (cis, trans) conformations in the bulk of about 25 % at 300 K. The structure of the DPP fragment was in agreement with the findings of Erman et al [21], Ir.…”

Section: Introductionmentioning

confidence: 99%

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Quantification of conformational disorder in glassy polycarbonate by two-dimensional nuclear magnetic resonance spectroscopy

TOMASELLI¹

1996

Molecular Physics

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We have investigated the local chain conformation in amorphous bisphenol-A polycarbonate at the carbonate-phenylene fragment by a solid-state nuclear magnetic resonance study. Chemical-shielding anisotropy (CSA) powder patterns have been analysed, and their sensitivity to local conformation is discussed. CSA-dipole tensor correlation experiments on isotopically enriched samples were analysed in terms of dihedral-angle distributions. The comparison with atomistic simulations allowed for a critical test of the glass model and provided inform ation for the improvement and refinement of the m odel

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Section: Introductioncontrasting

confidence: 80%

Section: Two-dimensional Homonuclear Separated-local-field Experimentsmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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Quantification of conformational disorder in glassy polycarbonate by two-dimensional nuclear magnetic resonance spectroscopy

TOMASELLI¹

1996

Molecular Physics

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“…For additional information on related carbonate structures and chemistry, see Bendler (1985), Klug (1955), Perez & Scaringe (1987) and Henrichs & Luss (1988 …”

Section: C112) C(7)mentioning

confidence: 99%

Structures of two nitro-substituted aryl carbonates

King¹,

Bryant²

1990

Acta Crystallogr C

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Polycarbonates

Brunelle¹

2000

Kirk-Othmer Encyclopedia of Chemical Technology

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Polycarbonates are an unusual and extremely useful class of polymers. The vast majority of polycarbonates are based on bisphenol A (BPA) and sold under the trade names Lexan, Makrolon, Calibre, and Panlite. BPA polycarbonates having high glass‐transition temperatures are widely regarded for optical clarity and exceptional impact resistance and ductility at room temperature and below. Other properties such as modulus, dielectric strength, or tensile strength are comparable to other amorphous thermoplastics at similar temperatures below their respective glass‐transition temperatures. Polycarbonates are prepared commercially by two processes: Schotten‐Baumann reaction of phosgene and an aromatic diol in an amine‐catalyzed interfacial condensation reaction, or via base‐catalyzed transesterification of a bisphenol with a monomeric carbonate such as diphenyl carbonate. Important products are also based on polycarbonates in blends with other polymers, copolymers, branched resins, flame‐retardant compositions, foams, and other materials. Polycarbonate, produced globally, has been the object of research studies, owing to its widespread utility and unusual properties. This article summarizes the preparation, properties, and utility of polycarbonates.

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Crystalline features of 4,4'-isopropylidenediphenylbis(phenyl carbonate) and conformational analysis of the polycarbonate of 2,2-bis(4-hydroxyphenyl)propane

Cited by 58 publications

References 6 publications

Quantification of conformational disorder in glassy polycarbonate by two-dimensional nuclear magnetic resonance spectroscopy

Quantification of conformational disorder in glassy polycarbonate by two-dimensional nuclear magnetic resonance spectroscopy

Structures of two nitro-substituted aryl carbonates

Polycarbonates

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