Unscaled vibrational frequencies (cm 1) with corresponding intensities (values given in parenthesis

Table 4: Unscaled vibrational frequencies (cm^‑1) with corresponding intensities (values given in parenthesis, km mol^-1) for B₂H₄ and its complexes at MP2/aug-cc-pVDZ.

Compound

Bond

B₂H₄

B₂H₄-NH₃

B₂H₄-NH₂Me

B₂H₄-NHMe₂

B₂H₄-NMe₃

ν

ν

Dν

ν

Dν

ν

Dν

ν

Dν

B₁ - B₄

sym-B₁-H₂-B₄

usy-B₁-H₂-B₄

us-B₁-H₅,B₄-H₆

sym-B₁-H₅,B₄-H₆

N…H

H….B-B

symH-O-H

CH₃O-H

1343(3)

2129(18)

2136(44)

2811(36)

2851(0.2)

3804(4)^a

3938(67)^b

3841(34)

1345(2)

2136(27)

2147(13)

2805(42)

2847(0)

105(20)

2

7

11

-6

-4

1342(2)

2134(34)

2147(21)

2805(37)

2846(0.2)

110(11)

-1

5

11

-6

-5

1343(1)

2123(13)

2141(40)

2803(35)

2844(0)

119(8)

0

-6

5

-8

-7

1342(2)

2120(16)

2141(40)

2802(34)

2843(0)

94(1)

-1

-9

5

-9

-8

^ansym O-H; ^bnunsym O-H