Borane carbonyl
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Borane carbonyl is the inorganic compound with the formula H3BCO. This colorless gas is the
adduct An adduct (from the Latin ''adductus'', "drawn toward" alternatively, a contraction of "addition product") is a product of a direct addition of two or more distinct molecules, resulting in a single reaction product containing all atoms of all co ...
of
borane Trihydridoboron, also known as borane or borine, is an unstable and highly reactive molecule with the chemical formula . The preparation of borane carbonyl, BH3(CO), played an important role in exploring the chemistry of boranes, as it indicated ...
and
carbon monoxide Carbon monoxide (chemical formula CO) is a colorless, poisonous, odorless, tasteless, flammable gas that is slightly less dense than air. Carbon monoxide consists of one carbon atom and one oxygen atom connected by a triple bond. It is the simple ...
. It is usually prepared by combining borane-ether complexes and CO. The compound is mainly of theoretical and pedagogical interest. It reacts with aqueous base to give boranocarbonate H3BCO22−. Bond distances are B−C, 1.529; C−O, 1.140; 1.194 Å. The H−B−H angle is 113.7°. The CO vibrational band is at 2165 cm−1, 22 cm−1 higher than that of free CO.


Experimental data


Enthalpy of vaporization


Vibrational levels (cm−1)

vibrational zero-point energy: 7826.5 cm−1 (from fundamental vibrations)


Rotational Constants (cm−1)


Geometric Data


Point Group C3v


Internal coordinates

distances (r) in Å, angles (a) in degrees, dihedrals (d) in degrees


Cartesians


Atom - Atom Distances

Distances in Å


Experimental Bond Angles

(degrees) from cartesians


Bond descriptions

Examples: C-C single bond, C=C, double bond, C#C triple bond, C:C aromatic bond


Connectivity


Electronic energy levels (cm−1)


Ionization Energies (eV)


Dipole, Quadrupole and Polarizability


Electric dipole moment


Electric quadrupole moment


References

{, class="wikitable" !squib !reference ! , - , webbook , NIST Chemistry Webbook (http://webbook.nist.gov/chemistry) , 10.18434/T4D303


References

Boranes Carbonyl complexes Organoboron compounds