dichloroborane

Formula: BCl₂H
Molecular weight: 82.725
IUPAC Standard InChI: InChI=1S/BCl2H/c2-1-3/h1H
IUPAC Standard InChIKey: LHCGBIFHSCCRRG-UHFFFAOYSA-N
CAS Registry Number: 10325-39-0
Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript.
Other names: Borane, dichloro-
Permanent link for this species. Use this link for bookmarking this species for future reference.
Information on this page:
Other data available:
Data at other public NIST sites:
- Computational Chemistry Comparison and Benchmark Database
Options:
- Switch to SI units

Vibrational and/or electronic energy levels

State: X

Vib. sym.	No.	Approximate type of mode	cm^-1		Med.	Method	References


a₁	1	BH stretch	2616.9	w	gas	IR	Lynds and Stern, 1959 Nadeau and Oaks, 1960 Myers and Putnam, 1963 Lynds and Bass, 1964
	1	BH stretch	2625		Ar	IR	Bass, Lynds, et al., 1964
	2	BCl₂ s-stretch	740	T	gas	IR	Bass, Lynds, et al., 1964, 2
b₁	4	OPLA	784	T	gas	IR	Bass, Lynds, et al., 1964, 2
	4	OPLA	788		Ar	IR	Bass, Lynds, et al., 1964
b₂	5	HBCl bend	1089	s	gas	IR	Lynds and Stern, 1959 Nadeau and Oaks, 1960 Myers and Putnam, 1963 Bass, Lynds, et al., 1964, 2
	5	HBCl bend	1082.5		Ar	IR	Bass, Lynds, et al., 1964 Miller and Andrews, 1980
	6	BCl₂ a-stretch	892	s	gas	IR	Lynds and Stern, 1959 Nadeau and Oaks, 1960 Myers and Putnam, 1963 Bass, Lynds, et al., 1964, 2
	6	BCl₂ a-stretch	886.3		Ar	IR	Bass, Lynds, et al., 1964 Miller and Andrews, 1980

Additional references: Jacox, 1998, page 238; Sugie, Takeo, et al., 1994

Notes

Weak

Strong

Tentative assignment or approximate value

References

Go To: Top, Vibrational and/or electronic energy levels, Notes

Lynds and Stern, 1959
Lynds, L.; Stern, D.R., None, J. Am. Chem. Soc., 1959, 81, 18, 5006, https://doi.org/10.1021/ja01527a070 . [all data]

Nadeau and Oaks, 1960
Nadeau, H.G.; Oaks, D.M., Jr., Infrared Spectrophotometric Determination of Diborane (6), Dichloroborane, and Trichloroborane in Mixtures, Analyt. Chem., 1960, 32, 11, 1480, https://doi.org/10.1021/ac60167a030 . [all data]

Myers and Putnam, 1963
Myers, H.W.; Putnam, R.F., On the Properties of Monochlorodiborane, Inorg. Chem., 1963, 2, 3, 655, https://doi.org/10.1021/ic50007a067 . [all data]

Lynds and Bass, 1964
Lynds, L.; Bass, C.D., Infrared Spectrum of ν2 of Dichloroborane and Dichloroborane-d, J. Chem. Phys., 1964, 40, 6, 1590, https://doi.org/10.1063/1.1725365 . [all data]

Bass, Lynds, et al., 1964
Bass, C.D.; Lynds, L.; Wolfram, T.; DeWames, R.E., Matrix Isolation Spectra of HBCl2 and DBCl2, Inorg. Chem., 1964, 3, 7, 1063, https://doi.org/10.1021/ic50017a047 . [all data]

Bass, Lynds, et al., 1964, 2
Bass, C.D.; Lynds, L.; Wolfram, T.; DeWames, R.E., Vibrational Analysis of Substituted and Perturbed Molecules. II. Planar XY3 Molecules; Application to BCl3[Single Bond]HBCl2[Single Bond]DBCl2, J. Chem. Phys., 1964, 40, 12, 3611, https://doi.org/10.1063/1.1725062 . [all data]

Miller and Andrews, 1980
Miller, J.H.; Andrews, L., Matrix photoionization and radiolysis of boron trihalides. Infrared and ultraviolet spectra of boron trichloride(1+) and boron tribromide(1+) and infrared spectra of boron dichloride and boron dibromide, J. Am. Chem. Soc., 1980, 102, 15, 4900, https://doi.org/10.1021/ja00535a011 . [all data]

Jacox, 1998
Jacox, M.E., Vibrational and electronic energy levels of polyatomic transient molecules: supplement A, J. Phys. Chem. Ref. Data, 1998, 27, 2, 115-393, https://doi.org/10.1063/1.556017 . [all data]

Sugie, Takeo, et al., 1994
Sugie, M.; Takeo, H.; Matsumura, C., Spectrochim. Acta, 1994, 50A, 1379. [all data]

Notes

Go To: Top, Vibrational and/or electronic energy levels, References

Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
Customer support for NIST Standard Reference Data products.