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The Formation of HAlX 2 (X = Cl, Br) in the Thermolysis of Intramolecularly Coordinated Alanes Me 2 N(CH 2 ) 3 AlX 2 : A Matrix Isolation Study
Author(s) -
Müller Jens,
Wittig Bob
Publication year - 1998
Publication title -
european journal of inorganic chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.667
H-Index - 136
eISSN - 1099-0682
pISSN - 1434-1948
DOI - 10.1002/(sici)1099-0682(199811)1998:11<1807::aid-ejic1807>3.0.co;2-u
Subject(s) - chemistry , matrix isolation , thermal decomposition , argon , monomer , ab initio , matrix (chemical analysis) , decomposition , ab initio quantum chemistry methods , spectroscopy , computational chemistry , infrared spectroscopy , crystallography , molecule , organic chemistry , physics , chromatography , quantum mechanics , polymer
High‐vacuum thermolyses of the intramolecularly coordinated alanes Me 2 N(CH 2 ) 3 AlX 2 with × = Cl, Br ( 1 , 2 ) were investigated with matrix isolation techniques. Among the products, which were identified with IR spectroscopy, ab initio calculations, and known literature data, are monomeric HAlCl 2 and HAlBr 2 . The experimental vibrational frequencies of these hydrides matches well the calculated harmonic frequencies at the MP2(fc)/6–311G+(2d, p) and B3LYP/6–311G+(2d, p) level of theory. Beside the monomeric HAlX 2 , the argon matrices of the thermolysis experiments contained CH 4 , HCN, H 2 C=CH 2 , H 2 C=NMe, [H 2 CCHCH 2 ] • , H 2 C=CHCH 3 , and AlX n ( n = 1–3; × = Cl or Br).