TY - JOUR
T1 - Conformational behavior of 3-borabicyclo[3.3.1]nonanes
T2 - 1. Study of molecular dynamics in 3-methoxy-7α-phenyl-1,5-dimethyl-3-borabicyclo[3.3.1]nonane
AU - Gurskii, Mikhail E.
AU - Gridnev, Ilya D.
AU - Bubnov, Yuri N.
AU - Pelter, Andrew
AU - Rademacher, Paul
N1 - Funding Information:
This work was carried out with the financial support of the Russian Foundation for Basic Research (Project nos. 98-03-32993a and 96-15-97289) and ‘The Integration’ program (grant no. 234).
PY - 1999/11/30
Y1 - 1999/11/30
N2 - 3-Methoxy-7α-phenyl-1,5-dimethyl-3-borabicyclo[3.3.1]nonane 5 in solution at room temperature exists in the double chair conformation, as shown by NMR studies. Increasing the temperature leads to an increase in the population of the chair-boat conformation. At decreased temperature hindered rotation around the B-O bond is observed for 5. Dissolving 5 in deuteropyridine leads to the reversible formation of complex 6, which exists in the chair-boat conformation. The chair-boat conformation is also the most stable one for chelate compound 7 with a tetracoordinated boron atom.
AB - 3-Methoxy-7α-phenyl-1,5-dimethyl-3-borabicyclo[3.3.1]nonane 5 in solution at room temperature exists in the double chair conformation, as shown by NMR studies. Increasing the temperature leads to an increase in the population of the chair-boat conformation. At decreased temperature hindered rotation around the B-O bond is observed for 5. Dissolving 5 in deuteropyridine leads to the reversible formation of complex 6, which exists in the chair-boat conformation. The chair-boat conformation is also the most stable one for chelate compound 7 with a tetracoordinated boron atom.
KW - 3-Borabicyclo[3.3.1]nonanes
KW - Conformation
KW - Molecular dynamics
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U2 - 10.1016/S0022-328X(99)00462-3
DO - 10.1016/S0022-328X(99)00462-3
M3 - Article
AN - SCOPUS:0346499674
VL - 590
SP - 227
EP - 233
JO - Journal of Organometallic Chemistry
JF - Journal of Organometallic Chemistry
SN - 0022-328X
IS - 2
ER -