Inorganic Salts of N-phenylbiguanidium(1+)-Novel Family with Promising Representatives for Nonlinear Optics

0545410 - ÚFCH JH 2022 RIV CH eng J - Journal Article
Matulková, I. - Císařová, I. - Fridrichová, M. - Gyepes, Robert - Němec, P. - Kroupa, Jan - Němec, I.
Inorganic Salts of N-phenylbiguanidium(1+)-Novel Family with Promising Representatives for Nonlinear Optics.
International Journal of Molecular Sciences. Roč. 22, č. 16 (2021), č. článku 8419. E-ISSN 1422-0067
Grant - others:GA MŠk(CZ) CZ.02.1.01/0.0/0.0/15_003/0000417
Institutional support: RVO:61388955 ; RVO:68378271
Keywords : x-ray-diffraction * 2nd-harmonic generation * molecular-crystals * hydrogen-bond * acid * biguanide * N-phenylbiguanidium(1+) cation * crystal structure * vibrational spectra * second harmonic generation * solid-state DFT
OECD category: Physical chemistry; Condensed matter physics (including formerly solid state physics, supercond.) (FZU-D)
Impact factor: 6.208, year: 2021
Method of publishing: Open access

Seven inorganic salts containing N-phenylbiguanide as a prospective organic molecular carrier of nonlinear optical properties were prepared and studied within our research of novel hydrogen-bonded materials for nonlinear optics (NLO). All seven salts, namely N-phenylbiguanidium(1+) nitrate (C2/c), N-phenylbiguanidium(1+) perchlorate (P-1), N-phenylbiguanidium(1+) hydrogen carbonate (P2(1)/c), bis(N-phenylbiguanidium(1+)) sulfate (C2), bis(N-phenylbiguanidium(1+)) hydrogen phosphate sesquihydrate (P-1), bis(N-phenylbiguanidium(1+)) phosphite (P2(1)), and bis(N-phenylbiguanidium(1+)) phosphite dihydrate (P2(1)/n), were characterised by X-ray diffraction (powder and single-crystal X-ray diffraction) and by vibrational spectroscopy (FTIR and Raman). Two salts with non-centrosymmetric crystal structures-bis(N-phenylbiguanidium(1+)) sulfate and bis(N-phenylbiguanidium(1+)) phosphite-were further studied to examine their linear and nonlinear optical properties using experimental and computational methods. As a highly SHG-efficient and phase-matchable material transparent down to 320 nm and thermally stable to 483 K, bis(N-phenylbiguanidium(1+)) sulfate is a promising novel candidate for NLO.
Permanent Link: http://hdl.handle.net/11104/0322105