The infrared (IR) spectrum of borane(3) anions (BH3) isolated in solid Ar was recorded; two vibrational modes were observed at 2259.4 and 606.6 cm−1, which were assigned to the BH2 stretching (ν3) and out-of-plane large-amplitude (ν2) modes, respectively. These anions were produced by the electron bombardment of an Ar matrix sample containing a small proportion of B2H6 and H2 during matrix deposition or by the photolysis of single-bridged-B2H5 in an Ar matrix with the selected ultraviolet light. The band positions, relative intensity ratios, isotopic splitting pattern, and isotopic shift ratios of the observed IR features of BH3 are generally in good agreement with those predicted by the B2PLYP/aug-cc-pVTZ method.

1.
T. P.
Fehlner
, in
Boron Hydride Chemistry
, edited by
E. L.
Muetterties
(
Academic Press, Inc.
,
New York
,
1975
), p.
175
.
2.
F. A.
Cotton
and
G.
Wilkinson
,
Advanced Inorganic Chemistry
(
Wiley
,
New York
,
1962
).
3.
W. N.
Lipscomb
,
Boron Hydrides
(
Benjamin
,
New York
,
1963
).
4.
R. E.
Rundle
,
J. Am. Chem. Soc.
69
,
1327
(
1947
).
5.
G. C.
Pimentel
,
J. Chem. Phys.
19
,
446
(
1951
).
6.
D. A.
Dixon
and
M.
Gutowski
,
J. Phys. Chem. A
109
,
5129
(
2005
).
7.
V. P.
Sorokin
,
B. I.
Vesnina
, and
N. S.
Klimova
,
Russ. J. Inorg. Chem.
8
,
32
(
1963
).
8.
F. H.
Stephens
,
R. T.
Baker
,
M. H.
Matus
,
D. J.
Grant
, and
D. A.
Dixon
,
Angew. Chem., Int. Ed.
46
,
746
(
2007
).
9.
Y.
Yao
and
R.
Hoffmann
,
J. Am. Chem. Soc.
133
,
21002
(
2011
).
10.
J.
Ma
,
J. C.
Richley
,
D. R. W.
Davies
,
M. N. R.
Ashfold
, and
Y. A.
Mankelevich
,
J. Phys. Chem. A
114
,
10076
(
2010
).
11.
J.
Ma
,
J. C.
Richley
,
D. R. W.
Davies
,
A.
Cheesman
,
M. N. R.
Ashfold
, and
Y. A.
Mankelevich
,
J. Phys. Chem. A
114
,
2447
(
2010
).
12.
T. J.
Tague
, Jr.
and
L.
Andrews
,
J. Am. Chem. Soc.
116
,
4970
(
1994
).
13.
L.
Andrews
and
X.
Wang
,
J. Am. Chem. Soc.
124
,
7280
(
2002
).
14.
A.
Kaldor
and
R. F.
Porter
,
J. Am. Chem. Soc.
93
,
2140
(
1971
).
15.
C.-L.
Yu
and
S. H.
Bauer
,
J. Phys. Chem. Ref. Data
27
,
807
835
(
1998
).
16.
G.
Herzberg
and
J. W. C.
Johns
,
Proc. R. Soc. A
298
,
142
(
1967
).
17.
L. B.
Knight
, Jr.
,
M.
Winiski
,
P.
Miller
,
C. A.
Arrington
, and
D.
Feller
,
J. Chem. Phys.
91
,
4468
(
1989
).
18.
K.
Kawaguchi
,
J. E.
Bulter
,
C.
Yamada
,
S. H.
Bauer
,
T.
Minowa
,
H.
Kanamori
, and
E.
Hirota
,
J. Chem. Phys.
96
,
3411
(
1992
).
19.
J. R. M.
Giles
and
B. P.
Roberts
,
J. Chem. Soc., Perkin Trans. 2
1983
,
743
.
20.
C. T.
Wickham-Jones
,
S.
Moran
, and
G. B.
Ellison
,
J. Chem. Phys.
90
,
795
(
1989
).
21.
K.
Kawaguchi
,
Can. J. Phys.
72
,
925
(
1994
).
22.
K. P.
Huber
and
G.
Herzberg
,
Constants of Diatomic Molecules
(
Van Nostrand Reinhold, Co.
,
New York
,
1979
).
23.
M.-C.
Liu
,
H.-F.
Chen
,
W.-J.
Huang
,
C.-H.
Chin
,
S.-C.
Chen
,
T.-P.
Huang
, and
Y.-J.
Wu
,
J. Chem. Phys.
145
,
074314
(
2016
).
24.
T.-P.
Huang
,
H.-F.
Chen
,
M.-C.
Liu
,
C.-H.
Chin
,
M. C.
Durrant
,
Y.-Y.
Lee
, and
Y.-J.
Wu
,
J. Chem. Phys.
147
,
114301
(
2017
).
25.
M. J.
Frisch
 et al, gaussian 09, Revision A.02,
Gaussian, Inc.
,
Wallingford, CT, USA
,
2009
.
26.
A. D.
Becke
,
J. Chem. Phys.
98
,
5648
(
1993
).
27.
C.
Lee
,
W.
Yang
, and
R. G.
Parr
,
Phys. Rev. B
37
,
785
(
1988
).
28.
J. P.
Perdew
and
Y.
Wang
,
Phys. Rev. B
45
,
13244
(
1992
).
29.
S.
Grimme
,
J. Chem. Phys.
124
,
034108
(
2006
).
30.
M.
Head-Gordon
,
J. A.
Pople
, and
M. J.
Frisch
,
Chem. Phys. Lett.
153
,
503
(
1988
).
31.
J. D.
Watts
,
J.
Gauss
, and
R. J.
Bartlett
,
J. Chem. Phys.
98
,
8718
(
1993
).
32.
J. A.
Pople
,
M.
Head-Gordon
, and
K.
Raghavachari
,
J. Chem. Phys.
87
,
5968
(
1987
).
33.
D. E.
Woon
and
T. H.
Dunning
, Jr.
,
J. Chem. Phys.
98
,
1358
(
1993
).
34.
J. D.
Watts
and
R. J.
Bartlett
,
J. Am. Chem. Soc.
117
,
825
(
1995
).
35.
J. E.
Bartmess
and
R. J.
Hinde
,
Can. J. Chem.
83
,
2005
(
2005
).
36.
A.-M.
Vasserot
,
B.
Gauthier-Roy
,
H.
Chabbi
, and
L.
Abouaf-Marguin
,
J. Mol. Spectrosc.
220
,
201
(
2003
).
37.
A.
Mehlhorn
,
B. A.
Hess
, Jr.
, and
R.
Zahradnik
,
J. Mol. Struct.
277
,
67
(
1992
).

Supplementary Material

You do not currently have access to this content.