Year: 2025
Type: article
Abstract: High Resolution Image Download MS PowerPoint Slide The hydrous borocarbonate B[μ-H(CO 3 ) 2 ] was synthesized in a laser-heated diamond anvil cell at moderate pressures (∼20 GPa) and temperatures (∼1500(200) K) by a reaction between B 2 O 3, CO 2 and H 2 O. The crystal structure was obtained from synchrotron single-crystal X-ray diffraction and confirmed by a combination of density functional theory (DFT) calculations and Raman spectroscopy. Second harmonic generation (SHG) measurements corroborated the acentric space group, while DFT calculations provided the complete SHG tensor. In the [μ-H(CO 3 ) 2 ] 3– building block two [CO 3 ] 2– groups are connected by sharing a hydrogen atom, which is bound in a nearly linear and symmetric O–H–O arrangement. B[μ-H(CO 3 ) 2 ] is a hydrous borocarbonate without further cations, combining interesting chemical and physical properties such as symmetric hydrogen bonds and a significant SHG intensity.
Source: Inorganic Chemistry
Language: English
Field: Materials Science
Domain: Physical Sciences
Open Access status: hybrid
Estimated APC paid: $4,500
OpenAlex ID: W4414240563