Diphosphene

Diphosphene
	Ball and stick model of diphosphene molecule
Identifiers
CAS Number	41916-72-7 ;
3D model (JSmol)	Interactive image;
ChemSpider	125761 ;
PubChem CID	142559;
CompTox Dashboard (EPA)	DTXSID50194680 ;
	InChI InChI=1S/H2P2/c1-2/h1-2H Key: SWJAOBXRZSMKNS-UHFFFAOYSA-N ;
	SMILES P=P;
Properties
Chemical formula	P; 2H; 2
Molar mass	63.96340 g·mol−1
Related compounds
Other anions	diazene
Other cations	diphosphenes
Related Binary azenes	triazene; tetrazene
Related compounds	ammonia; diazane; triazane
	Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). verify (what is ?) Infobox references

Diphosphene is a compound having the formula (PH)₂. It exists as two geometric isomers, E and Z.^[1] Diphosphene is also the parent member of the entire class of diphosphene compounds with the formula (PR)₂, where R is an organyl group.^[2]

Visible radiation induces cis-trans isomerization,^[3] although further irradiation can excite the molecule to a triplet diradical state. In triplet trans-HPPH, the P-P bond length is predicted to be 2.291 Å. It is not only longer than the P-P double bond in ground state trans-bis(2,4,6-tri-tert-butylphenyl)diphosphene, but also longer than that of P-P single bond in H₂PPH₂. Calculation of the dihedral angle of trans-HPPH suggests that it is almost 90 degree, which means the formation of $\pi$ and $\pi ^{*}$ P-P bonds is forbidden and σ bond is enhanced.^[4]

References

^ Lu, T.; Simmonett, A. C.; Evangelista, F. A.; Yamaguchi, Y.; Schaefer, H. F. (2009). "Diphosphene and Diphosphinylidene". The Journal of Physical Chemistry A. 113 (47): 13227–13236. Bibcode:2009JPCA..11313227L. doi:10.1021/jp904028a. PMID 19594123.
^ Yoshifuji, M.; Shibayama, K.; Inamoto, N.; Hirotsu, K.; Higuchi, T. (1983). "Reaction of the diphosphene ArP=PAr (Ar = 2,4,6-Bu^t₃C₆H₂) with sulphur: isolation and X-ray structure of the diphosphene monosulphide". Journal of the Chemical Society, Chemical Communications. 1983 (16): 862–863. doi:10.1039/C39830000862.
^ Caminade, Anne-Marie; Verrier, Martine; Ades, Claude; Paillous, Nicole; Koenig, Max (1984-01-01). "Laser irradiation of a diphosphene: evidence for the first cis–trans isomerization". J. Chem. Soc., Chem. Commun. (13): 875–877. doi:10.1039/c39840000875. ISSN 0022-4936.
^ Lu, Tongxiang; Hao, Qiang; Simmonett, Andrew C.; Evangelista, Francesco A.; Yamaguchi, Yukio; Fang, De-Cai; Schaefer, Henry F. (2010-10-14). "Low-Lying Triplet States of Diphosphene and Diphosphinylidene". The Journal of Physical Chemistry A. 114 (40): 10850–10856. Bibcode:2010JPCA..11410850L. doi:10.1021/jp105281w. ISSN 1089-5639. PMID 20836526.

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[1] Lu, T.; Simmonett, A. C.; Evangelista, F. A.; Yamaguchi, Y.; Schaefer, H. F. (2009). "Diphosphene and Diphosphinylidene". The Journal of Physical Chemistry A. 113 (47): 13227–13236. Bibcode:2009JPCA..11313227L. doi:10.1021/jp904028a. PMID 19594123.

[2] Yoshifuji, M.; Shibayama, K.; Inamoto, N.; Hirotsu, K.; Higuchi, T. (1983). "Reaction of the diphosphene ArP=PAr (Ar = 2,4,6-Bu^t₃C₆H₂) with sulphur: isolation and X-ray structure of the diphosphene monosulphide". Journal of the Chemical Society, Chemical Communications. 1983 (16): 862–863. doi:10.1039/C39830000862.

[3] Caminade, Anne-Marie; Verrier, Martine; Ades, Claude; Paillous, Nicole; Koenig, Max (1984-01-01). "Laser irradiation of a diphosphene: evidence for the first cis–trans isomerization". J. Chem. Soc., Chem. Commun. (13): 875–877. doi:10.1039/c39840000875. ISSN 0022-4936.

[4] Lu, Tongxiang; Hao, Qiang; Simmonett, Andrew C.; Evangelista, Francesco A.; Yamaguchi, Yukio; Fang, De-Cai; Schaefer, Henry F. (2010-10-14). "Low-Lying Triplet States of Diphosphene and Diphosphinylidene". The Journal of Physical Chemistry A. 114 (40): 10850–10856. Bibcode:2010JPCA..11410850L. doi:10.1021/jp105281w. ISSN 1089-5639. PMID 20836526.

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