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Experimental data for H3BO3 (Boric acid)

22 02 02 11 45
Other names
Orthoboric acid; Boracic acid; Boron hydroxide; Boron trihydroxide; boric acid;
INChI INChIKey SMILES IUPAC name
InChI=1S/BH3O3/c2-1(3)4/h2-4H KGBXLFKZBHKPEV-UHFFFAOYSA-N OB(O)O boric acid
State Conformation
1A' C3H
Enthalpy of formation (Hfg), Entropy, Integrated heat capacity (0 K to 298.15 K) (HH), Heat Capacity (Cp)
Property Value Uncertainty units Reference Comment
Hfg(298.15K) enthalpy of formation -992.28   kJ mol-1 webbook
Hfg(0K) enthalpy of formation     kJ mol-1 webbook
Entropy (298.15K) entropy 295.23   J K-1 mol-1 webbook
Information can also be found for this species in the NIST Chemistry Webbook
Vibrational levels (cm-1) vibrations
Mode Number Symmetry Frequency Intensity Comment Description
Fundamental(cm-1) Harmonic(cm-1) Reference (km mol-1) unc. Reference
1 A' 3705          
2 A' 1020          
3 A' 866          
4 A" 666          
5 A" 436          
6 E' 3706          
7 E' 1429          
8 E' 1017          
9 E' 432          
10 E" 520          

vibrational zero-point energy: 10450.8 cm-1 (from fundamental vibrations)
Calculated vibrational frequencies for H3BO3 (Boric acid).
Rotational Constants (cm-1) rotational constants
See section I.F.4 to change rotational constant units
A B C reference comment

Calculated rotational constants for H3BO3 (Boric acid).
Product of moments of inertia moments of inertia
amu3Å6   0gm3 cm6
Geometric Data
picture of Boric acid

Point Group C3h


Internal coordinates
distances (r) in Å, angles (a) in degrees, dihedrals (d) in degrees
Description Value unc. Connectivity Reference Comment
Atom 1 Atom 2 Atom 3 Atom 4

Cartesians
Atom x (Å) y (Å) z (Å)

Atom - Atom Distances bond lengths
Distances in Å
 

Calculated geometries for H3BO3 (Boric acid).

Bond descriptions


Examples: C-C single bond, C=C, double bond, C#C triple bond, C:C aromatic bond
Bond Type Count
B-O 3
H-O 3

Connectivity
Atom 1 Atom 2
B1 O2
B1 O3
B1 O4
O2 H5
O3 H6
O4 H7
Electronic energy levels (cm-1)
Energy (cm-1) Degeneracy reference description
0 1   1A'
Dipole, Quadrupole and Polarizability
Electric dipole moment dipole
State Config State description Conf description Exp. min. Dipole (Debye) Reference comment Point Group Components
x y z total dipole quadrupole
1 1 1A' C3h True           C3h 0 1
Experimental dipole measurement abbreviations: MW microwave; DT Dielectric with Temperature variation; DR Indirect (usually an upper limit); MB Molecular beam
Calculated electric dipole moments for H3BO3 (Boric acid).
Electric quadrupole moment quadrupole
State Config State description Conf description Exp. min. Quadrupole (D Å) Reference comment Point Group Components
xx yy zz dipole quadrupole
1 1 1A' C3h True       C3h 0 1

Calculated electric quadrupole moments for H3BO3 (Boric acid).

References
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squib reference DOI
webbook NIST Chemistry Webbook (http://webbook.nist.gov/chemistry) 10.18434/T4D303

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