Raman Spectroscopy of Rhombohedral P4O10

Sean J. Gilliam; Scott Kirkby; Clifton N. Merrow; Daniel Zeroka; Ajit Banerjee; James O. Jensen

doi:10.1021/jp027854l.

Raman Spectroscopy of Rhombohedral P4O10

Sean J. Gilliam
, Scott Kirkby
, Clifton N. Merrow
, Daniel Zeroka
, Ajit Banerjee
, James O. Jensen

Department of Chemistry

Research output: Contribution to journal › Article › peer-review

Abstract

A complete Raman vibrational analysis has been performed on phase-pure rhombohedral phosphorus pentoxide (P4O10) at room temperature. The “molecular” Td symmetry is reduced to C3v symmetry when bound in the rhombohedral crystalline lattice. Therefore, the 15 fundamental modes of vibration irreducibly represented as Γvib = 3A1 + 3E + 3T1 + 6T2 reduce to 21 fundamental modes with a factor group analysis resulting in Γvib = 9A1 + 12E for the irreducible representation, all of which are Raman active. Complete vibrational assignments and relative intensities, including all T2 to E and A1 splittings, are reported. Five new E fundamentals (262, 329, 419, 829, and 846 cm-1) in the C3v symmetry were observed. All peaks show good agreement with theoretical calculations.

Original language	American English
Journal	The Journal of Physical Chemistry B
Volume	107
DOIs	https://doi.org/10.1021/jp027854l.
State	Published - Mar 7 2003

Keywords

molecular
phosphorus pentoxide
raman
rhombohedral p4o10
spectroscopy
symmetry
vibrational

Disciplines

Physical Sciences and Mathematics
Chemistry
Inorganic Chemistry
Physical Chemistry

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Cite this

@article{e0e556cea13a4be899312f7e956a76f5,

title = "Raman Spectroscopy of Rhombohedral P4O10",

abstract = " A complete Raman vibrational analysis has been performed on phase-pure rhombohedral phosphorus pentoxide (P4O10) at room temperature. The “molecular” Td symmetry is reduced to C3v symmetry when bound in the rhombohedral crystalline lattice. Therefore, the 15 fundamental modes of vibration irreducibly represented as Γvib = 3A1 + 3E + 3T1 + 6T2 reduce to 21 fundamental modes with a factor group analysis resulting in Γvib = 9A1 + 12E for the irreducible representation, all of which are Raman active. Complete vibrational assignments and relative intensities, including all T2 to E and A1 splittings, are reported. Five new E fundamentals (262, 329, 419, 829, and 846 cm-1) in the C3v symmetry were observed. All peaks show good agreement with theoretical calculations.",

keywords = "molecular, phosphorus pentoxide, raman, rhombohedral p4o10, spectroscopy, symmetry, vibrational",

author = "Gilliam, \{Sean J.\} and Scott Kirkby and Merrow, \{Clifton N.\} and Daniel Zeroka and Ajit Banerjee and Jensen, \{James O.\}",

note = "Gilliam, Sean J., Scott J. Kirkby, Clifton N. Merrow, Daniel Zeroka, Ajit Banerjee, and James O. Jensen. “Raman Spectroscopy of Rhombohedral P4O10.” The Journal of Physical Chemistry B 107, no. 13 (April 1, 2003): 2892–96. https://dx.doi.org/10.1021/jp027854l.",

year = "2003",

month = mar,

day = "7",

doi = "10.1021/jp027854l.",

language = "American English",

volume = "107",

journal = "The Journal of Physical Chemistry B",

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TY - JOUR

T1 - Raman Spectroscopy of Rhombohedral P4O10

AU - Gilliam, Sean J.

AU - Kirkby, Scott

AU - Merrow, Clifton N.

AU - Zeroka, Daniel

AU - Banerjee, Ajit

AU - Jensen, James O.

N1 - Gilliam, Sean J., Scott J. Kirkby, Clifton N. Merrow, Daniel Zeroka, Ajit Banerjee, and James O. Jensen. “Raman Spectroscopy of Rhombohedral P4O10.” The Journal of Physical Chemistry B 107, no. 13 (April 1, 2003): 2892–96. https://dx.doi.org/10.1021/jp027854l.

PY - 2003/3/7

Y1 - 2003/3/7

N2 - A complete Raman vibrational analysis has been performed on phase-pure rhombohedral phosphorus pentoxide (P4O10) at room temperature. The “molecular” Td symmetry is reduced to C3v symmetry when bound in the rhombohedral crystalline lattice. Therefore, the 15 fundamental modes of vibration irreducibly represented as Γvib = 3A1 + 3E + 3T1 + 6T2 reduce to 21 fundamental modes with a factor group analysis resulting in Γvib = 9A1 + 12E for the irreducible representation, all of which are Raman active. Complete vibrational assignments and relative intensities, including all T2 to E and A1 splittings, are reported. Five new E fundamentals (262, 329, 419, 829, and 846 cm-1) in the C3v symmetry were observed. All peaks show good agreement with theoretical calculations.

AB - A complete Raman vibrational analysis has been performed on phase-pure rhombohedral phosphorus pentoxide (P4O10) at room temperature. The “molecular” Td symmetry is reduced to C3v symmetry when bound in the rhombohedral crystalline lattice. Therefore, the 15 fundamental modes of vibration irreducibly represented as Γvib = 3A1 + 3E + 3T1 + 6T2 reduce to 21 fundamental modes with a factor group analysis resulting in Γvib = 9A1 + 12E for the irreducible representation, all of which are Raman active. Complete vibrational assignments and relative intensities, including all T2 to E and A1 splittings, are reported. Five new E fundamentals (262, 329, 419, 829, and 846 cm-1) in the C3v symmetry were observed. All peaks show good agreement with theoretical calculations.

KW - molecular

KW - phosphorus pentoxide

KW - raman

KW - rhombohedral p4o10

KW - spectroscopy

KW - symmetry

KW - vibrational

U2 - 10.1021/jp027854l.

DO - 10.1021/jp027854l.

M3 - Article

VL - 107

JO - The Journal of Physical Chemistry B

JF - The Journal of Physical Chemistry B

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