Structural incorporation of carbon and nitrogen into B-SSZ-13 : a spectroscopic and computational studies

Abstract As prepared B-SSZ-13 exhibits [B(OSi) 4 ] units in T d -like geometry, upon template burning, the break of a B-O-Si bond results in [B(OSi) 3 ] units in D 3h -like geometry, testified by the appearance of the IR fingerprint at 1390 cm –1 and by the evolution of the NEXAFS spectrum. Interaction with CH 3 OH at room temperature results in a rich reactivity with both [B(OSi) 3 ] units and adjacent SiOH species. A gentle thermal treatment at 373 K in NH 3 atmosphere results in the formation of -NH 2 species bonded directly to boron or to silicon, stable at ambient atmosphere. This finding is of relevance because it represents the insertion of basic species inside a zeolitic framework, and thus the achievement of a microporous molecular sieve acting as a Bronsted base.