ePrints@IIScePrints@IISc Home | About | Browse | Latest Additions | Advanced Search | Contact | Help

P3F92-: An All-Pseudo-pi* 2 pi-Aromatic

Priyakumari, Chakkingal P and Jemmis, Eluvathingal D (2013) P3F92-: An All-Pseudo-pi* 2 pi-Aromatic. In: JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 135 (43). pp. 16026-16029.

[img] PDF
ji_Ame_Che_Soi_135-43_16026_2013.pdf - Published Version
Restricted to Registered users only

Download (2MB) | Request a copy
[img] PDF
ja408308g_si_001.pdf - Published Supplemental Material
Restricted to Registered users only

Download (262kB) | Request a copy
Official URL: http://dx.doi.org/10.1021/ja408308g

Abstract

A qualitative MO analysis suggests (PH3)(3)(2-) as a candidate for an all-pseudo-pi* 2 pi-aromatic; however computational studies rule out its existence. Fluorine substitution which increases the contribution of p orbitals on P in the pseudo-pi* MO makes (PF3)(3)(2-) a minimum and an aromatic. The 2 pi aromaticity arising from the bonding combination of the three pseudo-pi* fragment MOs is comparable to that in C3O32- and is another example for the analogy between CO and PF3. The dianion (PF3)(3)(2-) forms the first example of a three-membered ring with all the vertices constituted by pentacoordinate phosphorus. The ability of PF3 to form the all-pseudo-pi* 2 pi-aromatic system is not shared by the heavier analogues, AsF3 and SbF3.

Item Type: Journal Article
Publication: JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
Publisher: AMER CHEMICAL SOC
Additional Information: Copyright for this article belongs to AMER CHEMICAL SOC, 1155 16TH ST, NW, WASHINGTON, DC 20036 USA
Department/Centre: Division of Chemical Sciences > Inorganic & Physical Chemistry
Date Deposited: 12 Dec 2013 10:31
Last Modified: 12 Dec 2013 10:31
URI: http://eprints.iisc.ac.in/id/eprint/47886

Actions (login required)

View Item View Item