# Reference Request - bond lengths in PCl2F3

While writing an answer here, I needed references for bond lengths of $$\ce{PF3Cl2}$$ and $$\ce{PF4Cl}$$. The latter was easily found in reference (1), whereas I could not find exact references for bond lengths in the former molecule.

References (2) and (3) contain information about the Raman spectra and $$\ce{F^{19}}$$ NMR spectra, but do not contain information about bond lengths. Reference (2) has information about the bond lengths of $$\ce{PCl3F2}$$, $$\ce{PF5}$$ and $$\ce{PCl5}$$, but not for $$\ce{PF3Cl2}$$.

A reference for exact bond lengths in $$\ce{PF3Cl2}$$, similar to the bond lengths shown above, is appreciated.

References:

1. Leiding, J., Woon, D. E., & Dunning, T. H. (2013). "Bonding in $$\ce{PF2Cl}$$, $$\ce{PF3Cl}$$ and $$\ce{PF4Cl}$$: insight into isomerism and apicophilicity from ab initio calculations and the recoupled pair bonding model". Theoretical Chemistry Accounts, 133(2). doi:10.1007/s00214-013-1428-7
2. Griffiths, J. E., Carter, R. P., & Holmes, R. R. (1995). "Molecular Structures of $$\ce{PCl4F}$$, $$\ce{PCl3F2}$$, $$\ce{PCl2F3}$$, and $$\ce{PF5}$$: Infrared and low-temperature Raman Vibrational Spectra". Phosphorus, Sulfur, and Silicon and the Related Elements, 98(1-4), 11–31. doi:10.1080/10426509508036938
3. Holmes, R. R., Carter, R. P., & Peterson, G. E. (1964). "Molecular Structures of $$\ce{PCl4F}$$, $$\ce{PCl3F2}$$, and $$\ce{PCl2F3}$$: Pure Chlorine Nuclear Quadrupole Resonance and Low Temperature $$\ce{F^{19}}$$ Nuclear Magnetic Resonance Spectra". Inorganic Chemistry, 3(12), 1748–1754. doi:10.1021/ic50022a021

## 1 Answer

To complete your literature survey, include this publication cited at least 11 times so far: «Dichlorotrifluorophosphorane (PCl2F3): molecular structure by gas-phase electron diffraction and quadratic force field» by French et al. in Inorg. Chem. 1985, 24, 2774–2777, doi 10.1021/ic00212a014. Despite the paywall, ACS's «In lieu of an abstract, this is the article's first page.» informs you about some key properties you search, values including ($$2\sigma$$ estimated) e.s.d.

How did I find this publication? Because the English Wikipedia has an entry about it (don't overlook the Chinese including complementary information).

But how to know if Wikipedia indexed such a compound? Way better than trial-and-error is to address this question to the Wikipedia Chemical Structure Explorer allowing to query there by structure or string, which may lead you to the corresponding article (in Wikipedia). It is backed by a public database (GitHub repository) initiated by Ertl et al.

Source: Ertl, P.; Patiny, L.; Sander, T.; Rufener, C.; Zasso M J. Cheminf., 2015, 7, 10, doi 10.1186/s13321-015-0061-y, (open access).

• Great answer, time to bookmark the chemical structure expolorer page :) – Aniruddha Deb Oct 16 '20 at 5:13