Two lead borate-nitrates with anion-centered [OPb 4 ] tetrahedra and two types of π-conjugated planar units showing large birefringence.

Shuo BaiDaqing Yang Bingbing ZhangLing LiYing Wang

Published in: Dalton transactions (Cambridge, England : 2003) (2022)

Two lead borate-nitrates Pb 6 O 4 (BO 3 )(NO 3 ) and Pb 6 O 2 (BO 3 ) 2 (NO 3 )F were obtained by the high-temperature flux method. Interestingly, their crystal structure consists of anion-centered [OPb 4 ] tetrahedra and π-conjugated BO 3 and NO 3 units. The first principles calculations indicate that both compounds show large birefringence.

Keyphrases

crystal structure
high temperature
heavy metals
ionic liquid
photodynamic therapy
density functional theory
molecular dynamics
aqueous solution
risk assessment