Open AccessQuantum chemical studies on the stability of tetramethyl ammonium tetraborohydride
Author(s) -
Daniel F. Calef
Publication year - 1995
Publication title -
osti oai (u.s. department of energy office of scientific and technical information)
Language(s) - English
Resource type - Reports
DOI - 10.2172/91873
Subject(s) - quantum chemical , ionic bonding , ammonium , decomposition , stability (learning theory) , chemical stability , ionic crystal , chemical physics , quantum , chemistry , crystal (programming language) , computational chemistry , materials science , molecule , ion , physics , organic chemistry , quantum mechanics , computer science , machine learning , programming language
Quantum chemical calculations were performed on tetramethyl ammonium tetraborohydride. The material is of interest chemically as it exists as a molecular ionic solid. Calculations show that there exist low energy barrier pathways to decomposition and, hence, that the stability of the material is largely due to crystal forces. Possible sources of this stability are discussed
Accelerating Research
Robert Robinson Avenue,
Oxford Science Park, Oxford
OX4 4GP, United Kingdom
Address
John Eccles HouseRobert Robinson Avenue,
Oxford Science Park, Oxford
OX4 4GP, United Kingdom