Isostructural crystals of bis(guanidinium) trioxofluoro-phosphate/phosphite in the ratio 1/0, 0.716/0.284, 0.501/0.499, 0.268/0.732, 0/1—crystal structures, vibrational spectra and second harmonic generation

0564664 - FZÚ 2023 RIV CH eng J - Journal Article
Matulková, I. - Fábry, Jan - Eigner, Václav - Dušek, Michal - Kroupa, Jan - Němec, I.
Isostructural crystals of bis(guanidinium) trioxofluoro-phosphate/phosphite in the ratio 1/0, 0.716/0.284, 0.501/0.499, 0.268/0.732, 0/1—crystal structures, vibrational spectra and second harmonic generation.
Crystals. Roč. 12, č. 12 (2022), č. článku 1694. ISSN 2073-4352. E-ISSN 2073-4352
Research Infrastructure: CzechNanoLab - 90110
Institutional support: RVO:68378271
Keywords : crystal structure * vibrational spectroscopy * second harmonic generation * hydrogen bonding * mixed crystals * trioxofluorophosphate * phosphite
OECD category: Condensed matter physics (including formerly solid state physics, supercond.)
Impact factor: 2.7, year: 2022
Method of publishing: Open access

The title structures of bis(guanidinium) trioxofluorophosphate, bis(guanidinium) trioxofluorophosphate-phosphite (0.716/0.284), bis(guanidinium) trioxofluorophosphate-phosphite (0.501/0.499), bis(guanidinium) trioxofluorophosphate-phosphite (0.268/0.732), and bis(guanidinium) phosphite are crystal-chemically isotypic. The P and O atoms of the substituted trioxofluorophosphate and phosphite anions share the same positions while the P-F and P-H hydrido are almost parallel and oriented in the same direction. Two symmetry-independent anions and two of three symmetry-independent cations are situated on the crystallographic mirror planes. The ions are interconnected by N-H O hydrogen bonds of moderate strength. The title crystals were also characterized by FTIR and FT Raman and the second harmonic generation (SHG). The relative SHG efficiency considerably decreases from bis(guanidinium) trioxofluorophosphate to bis(guanidinium) phosphite for the fundamental 1064 nm laser line.

Permanent Link: https://hdl.handle.net/11104/0336314