On the directed gas phase synthesis of the imidoborane molecule (HNBH)--an isoelectronic molecule of acetylene (HCCH).
نویسندگان
چکیده
The elementary reaction of ground state boron atoms, (B((2)P(j))), with ammonia (NH(3)(X(1)A(1))) was conducted under single collision conditions at a collision energy of 20.5 ± 0.4 kJ mol(-1) in a crossed molecular beams machine. Combined with electronic structure calculations, our experimental results suggested that the reaction was initiated by a barrier-less addition of the boron atom to the nonbonding electron pair of the nitrogen atom forming a weakly bound BNH(3) collision complex. This intermediate underwent a hydrogen shift to a doublet HBNH(2) radical that decomposed via atomic hydrogen loss to at least the imidoborane (HBNH(X(1)Σ(+)) molecule, an isoelectronic species of acetylene (HCCH(X(1)Σ(g)(+))). Our studies are also discussed in light of the isoelectronic C(2)H(3) potential energy surface accessed via the isoelectronic carbon-methyl system.
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ورودعنوان ژورنال:
- The journal of physical chemistry. A
دوره 114 46 شماره
صفحات -
تاریخ انتشار 2010