Comparative PM3-MO study of the E2O2 and E2N2 (E = P,As) four membered ring systems

I Silaghi-Dumitrescu; A Horea; Sofia Pascu; L Silaghi-Dumitrescu; I Haiduc

Comparative PM3-MO study of the E2O2 and E2N2 (E = P,As) four membered ring systems

I Silaghi-Dumitrescu, A Horea, Sofia Pascu, L Silaghi-Dumitrescu, I Haiduc

Department of Chemistry

Babeş-Bolyai University

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

1 Citation (SciVal)

Abstract

It seems that the relative stability of the E2O2 and E2N2 (E=P,As) rings is mainly determined by the different weights of the oxygen and nitrogen p orbitals to the HOMO's of these systems which in turn reflects a more favourable orbital mixing in the rings where the difference of the electronegativity of the constituents is smaller. This might explain the great diversity of the cyclodiphosphazane (arsazane) rings comparatively to the cyclodiphosphoxane (arsoxane) rings.

Original language	English
Pages (from-to)	441-444
Number of pages	4
Journal	Phosphorus Sulfur and Silicon and the Related Elements
Volume	124/5
Publication status	Published - 1997
Event	8th International Symposium on Inorganic Ring Systems - Loughborough, UK United Kingdom Duration: 10 Aug 1997 → 15 Aug 1997

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title = "Comparative PM3-MO study of the E2O2 and E2N2 (E = P,As) four membered ring systems",

abstract = "It seems that the relative stability of the E2O2 and E2N2 (E=P,As) rings is mainly determined by the different weights of the oxygen and nitrogen p orbitals to the HOMO's of these systems which in turn reflects a more favourable orbital mixing in the rings where the difference of the electronegativity of the constituents is smaller. This might explain the great diversity of the cyclodiphosphazane (arsazane) rings comparatively to the cyclodiphosphoxane (arsoxane) rings.",

author = "I Silaghi-Dumitrescu and A Horea and Sofia Pascu and L Silaghi-Dumitrescu and I Haiduc",

year = "1997",

language = "English",

volume = "124/5",

pages = "441--444",

journal = "Phosphorus Sulfur and Silicon and the Related Elements",

issn = "0308-664X",

publisher = "Taylor and Francis",

note = "8th International Symposium on Inorganic Ring Systems , IRIS VIII ; Conference date: 10-08-1997 Through 15-08-1997",

}

TY - JOUR

T1 - Comparative PM3-MO study of the E2O2 and E2N2 (E = P,As) four membered ring systems

AU - Silaghi-Dumitrescu, I

AU - Horea, A

AU - Pascu, Sofia

AU - Silaghi-Dumitrescu, L

AU - Haiduc, I

PY - 1997

Y1 - 1997

N2 - It seems that the relative stability of the E2O2 and E2N2 (E=P,As) rings is mainly determined by the different weights of the oxygen and nitrogen p orbitals to the HOMO's of these systems which in turn reflects a more favourable orbital mixing in the rings where the difference of the electronegativity of the constituents is smaller. This might explain the great diversity of the cyclodiphosphazane (arsazane) rings comparatively to the cyclodiphosphoxane (arsoxane) rings.

AB - It seems that the relative stability of the E2O2 and E2N2 (E=P,As) rings is mainly determined by the different weights of the oxygen and nitrogen p orbitals to the HOMO's of these systems which in turn reflects a more favourable orbital mixing in the rings where the difference of the electronegativity of the constituents is smaller. This might explain the great diversity of the cyclodiphosphazane (arsazane) rings comparatively to the cyclodiphosphoxane (arsoxane) rings.

M3 - Article

SN - 0308-664X

VL - 124/5

SP - 441

EP - 444

JO - Phosphorus Sulfur and Silicon and the Related Elements

JF - Phosphorus Sulfur and Silicon and the Related Elements

T2 - 8th International Symposium on Inorganic Ring Systems

Y2 - 10 August 1997 through 15 August 1997

ER -

Comparative PM3-MO study of the E2O2 and E2N2 (E = P,As) four membered ring systems

Abstract

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