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Nature of the P–O bond in diphenylphosphonic acid: experimental charge density and electron localization function analysis

Konstantin Alexandrovich Lyssenko 1
Konstantin Alexandrovich Lyssenko
, 
Gennadii Vyacheslavovich Grintselev-Knyazev 1
Gennadii Vyacheslavovich Grintselev-Knyazev
, 
Mikhail Yuvenal'evich Antipin 1
Mikhail Yuvenal'evich Antipin
10.1070/MC2002v012n04ABEH001604
Published 2002-09-12
Communication , Volume 12, Issue 4, 128-130
49
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Lyssenko K. A., Grintselev-Knyazev G. V., Antipin M. Y. Nature of the P–O bond in diphenylphosphonic acid: experimental charge density and electron localization function analysis // Mendeleev Communications. 2002. Vol. 12. No. 4. pp. 128-130.
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Lyssenko K. A., Grintselev-Knyazev G. V., Antipin M. Y. Nature of the P–O bond in diphenylphosphonic acid: experimental charge density and electron localization function analysis // Mendeleev Communications. 2002. Vol. 12. No. 4. pp. 128-130.
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TY - JOUR
DO - 10.1070/MC2002v012n04ABEH001604
UR - https://mendcomm.colab.ws/publications/10.1070/MC2002v012n04ABEH001604
TI - Nature of the P–O bond in diphenylphosphonic acid: experimental charge density and electron localization function analysis
T2 - Mendeleev Communications
AU - Lyssenko, Konstantin Alexandrovich
AU - Grintselev-Knyazev, Gennadii Vyacheslavovich
AU - Antipin, Mikhail Yuvenal'evich
PY - 2002
DA - 2002/09/12
PB - Mendeleev Communications
SP - 128-130
IS - 4
VL - 12
ER -
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@article{2002_Lyssenko,
author = {Konstantin Alexandrovich Lyssenko and Gennadii Vyacheslavovich Grintselev-Knyazev and Mikhail Yuvenal'evich Antipin},
title = {Nature of the P–O bond in diphenylphosphonic acid: experimental charge density and electron localization function analysis},
journal = {Mendeleev Communications},
year = {2002},
volume = {12},
publisher = {Mendeleev Communications},
month = {Sep},
url = {https://mendcomm.colab.ws/publications/10.1070/MC2002v012n04ABEH001604},
number = {4},
pages = {128--130},
doi = {10.1070/MC2002v012n04ABEH001604}
}
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Lyssenko, Konstantin Alexandrovich, et al. “Nature of the P–O bond in diphenylphosphonic acid: experimental charge density and electron localization function analysis.” Mendeleev Communications, vol. 12, no. 4, Sep. 2002, pp. 128-130. https://mendcomm.colab.ws/publications/10.1070/MC2002v012n04ABEH001604.

Abstract

Analysis of the electron density function and the ELF on the basis of the high resolution diffraction X-ray investigation of Ph2P(O)OH at 110 K have revealed that, in the vicinity of the oxygen atom of the P=O group, three lone pairs in an antiperiplanar orientation in respect to OH and Ph substituents are localised.

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