Both the vibrational and structural properties of coronene have been investigated upon compression up to 30.5 GPa at room temperature by a combination of Raman scattering and synchrotron x-ray diffraction measurements. The spectroscopic and crystallographic results demonstrate that two pressure-induced structural phase transitions take place at 1.5 GPa and 12.2 GPa where the high-pressure phases are identified as monoclinic and orthorhombic crystal structures with space groups of P2/m and Pmmm, respectively. A kink in the slope of the cell parameters as a function of pressure is associated with the disappearance of several internal Raman modes, which suggests the existence of structural distortions or reorganizations at approximately 6.0 GPa. Above 17.1 GPa, almost no evidence of crystallinity can be observed, indicating a possible transformation of coronene into an amorphous phase.

1.
E. A.
Silinsh
and
V.
Capek
,
Organic Molecular Crystals: Interaction, Localization, and Transport Phenomena
(
Springer-Verlag
,
Berlin, Heidelberg, and New York
,
1994
).
2.
R.
Farchioni
and
G.
Grosso
,
Organic Electronic Materials: Conjugated Polymers and Low Molecular Weight Organic Solids
(
Springer
,
Berlin
,
2001
).
3.
L. J.
Allamandola
,
S. A.
Sandford
, and
B.
Wopenka
,
Science
237
(
4810
),
56
(
1987
).
4.
R.
Mitsuhashi
,
Y.
Suzuki
,
Y.
Yamanari
,
H.
Mitamura
,
T.
Kambe
,
N.
Ikeda
,
H.
Okamoto
,
A.
Fujiwara
,
M.
Yamaji
,
N.
Kawasaki
,
Y.
Maniwa
, and
Y.
Kubozono
,
Nature Commun.
464
,
76
(
2010
).
5.
X. F.
Wang
,
R. H.
Liu
,
Z.
Gui
,
Y. L.
Xie
,
Y. J.
Yan
,
J. J.
Ying
,
X. G.
Luo
, and
X. H.
Chen
,
Nature Commun.
2
,
507
(
2011
).
6.
Y.
Kubozono
,
H.
Mitamura
,
X.
Lee
,
X.
He
,
Y.
Yamanari
,
Y.
Takahashi
,
Y.
Suzuki
,
Y.
Kaji
,
R.
Eguchi
,
K.
Akaike
,
T.
Kambe
,
H.
Okamoto
,
A.
Fujiwara
,
T.
Kato
,
T.
Kosugi
, and
H.
Aoki
,
Phys. Chem. Chem. Phys.
13
,
16476
(
2011
).
7.
M. Q.
Xue
,
T. B.
Cao
,
D. M.
Wang
,
Y.
Wu
,
H. X.
Yang
,
X. L.
Dong
,
J. B.
He
,
F. W.
Li
, and
G. F.
Chen
,
Sci. Rep.
2
,
389
(
2012
).
8.
H.
Taniguchi
,
M.
Miyashita
,
K.
Miyashita
,
K.
Satoh
,
N.
Môri
,
H.
Okamoto
,
K.
Miyagawa
,
K.
Kanoda
,
M.
Hedo
, and
Y.
Uwatoko
,
J. Phys. Soc. Jpn.
72
,
468
(
2003
).
9.
T.
Kambe
,
X.
He
,
Y.
Takahashi
,
Y.
Yamanari
,
K.
Teranishi
,
H.
Mitamura
,
S.
Shibasaki
,
K.
Tomita
,
R.
Eguchi
,
H.
Goto
,
Y.
Takabayashi
,
T.
Kato
,
A.
Fujiwara
,
T.
Kariyado
,
H.
Aoki
, and
Y.
Kubozono
,
Phys. Rev. B
86
,
214507
(
2012
).
10.
A. Y.
Ganin
,
Y.
Takabayashi
,
Y. Z.
Khimyak
,
S.
Margadonna
,
A.
Tamal
,
M. J.
Rosseinsky
, and
K.
Prassides
,
Nature Mater.
7
,
367
(
2008
).
11.
R. B.
Aust
,
W. H.
Bentley
, and
H. G.
Drickamer
,
J. Chem. Phys.
41
,
1856
(
1964
).
12.
X. D.
Wen
,
R.
Hoffmann
, and
N. W.
Ashcroft
,
J. Am. Chem. Soc.
133
,
9023
(
2011
).
13.
J. K.
Fawcett
and
J.
Trotter
,
Proc. R. Soc., London, Ser. A
289
,
366
(
1966
).
14.
T.
Yamamoto
,
S.
Nakatani
,
T.
Nakamura
,
K.
Mizuno
,
A. H.
Matsui
,
Y.
Akahama
, and
H.
Kawamura
,
Chem. Phys.
184
,
247
(
1994
).
15.
R.
Totoki
,
T.
Aoki-Matsumoto
, and
K.
Mizuno
,
J. Lumin.
112
,
308
(
2005
).
16.
S.
Nakatani
,
T.
Nakamura
,
K.
Mizuno
, and
A.
Matsui
,
J. Lumin.
58
,
343
(
1994
).
17.
E.
Jennings
,
W.
Montgomery
, and
Ph.
Lerch
,
J. Phys. Chem.
114
,
15753
(
2010
).
18.
T.
Kato
,
K.
Yoshizawa
, and
K.
Hirao
,
J. Chem. Phys.
116
,
3420
(
2002
).
19.
M.
Casula
,
M.
Calandra
,
G.
Profeta
, and
F.
Mauri
,
Phys. Rev. Lett.
107
,
137006
(
2011
).
20.
A.
Subedi
and
L.
Boeri
,
Phys. Rev. B
84
,
020508
(R) (
2011
).
21.
T.
Kato
,
T.
Kambe
, and
Y.
Kubozono
,
Phys. Rev. Lett.
107
,
077001
(
2011
).
22.
H. K.
Mao
,
P. M.
Bell
,
J. W.
Shaner
, and
D. J.
Stembey
,
J. Appl. Phys.
49
,
3276
(
1978
).
23.
C.
Thomsen
,
M.
Machón
, and
S.
Bahrs
,
Solid State Commun.
150
,
628
(
2010
).
24.
25.
L.
Colangeli
,
V.
Mennella
,
G. A.
Baratta
,
E.
Bussoletti
, and
G.
Strazzulla
,
Astrophys. J.
396
,
369
(
1992
).
26.
K.
Ohno
,
T.
Kajwara
, and
H.
Inokuchi
,
Bull. Chem. Soc. Jpn.
45
,
996
(
1972
).
27.
Q. W.
Huang
,
J.
Zhang
,
A.
Berlie
,
Z. X.
Qin
,
X. M.
Zhao
,
J. B.
Zhang
,
L. Y.
Tang
,
J.
Liu
,
C.
Zhang
,
G. H.
Zhong
,
H. Q.
Lin
, and
X. J.
Chen
,
J. Chem. Phys.
139
,
104302
(
2013
).
28.
S.
Fanetti
,
M.
Citroni
,
L.
Malavasi
,
G. A.
Artioli
,
P.
Postorino
, and
R.
Bini
,
J. Phys. Chem. C
117
,
5343
(
2013
).
29.
F.
Capitani
,
M.
Höppner
,
B.
Joseph
,
L.
Malavasi
,
G. A.
Artioli
,
L.
Baldassarre
,
A.
Perucchi
,
M.
Piccinini
,
S.
Lupi
,
P.
Boeri
, and
P.
Postorino
, “
A combined experimental and computational study of the pressure dependence of the vibrational spectrum of solid picene C22H14
,” e-print arXiv:1306.1030 [cond-mat.supr-con] (unpublished).
30.
Y.
Lin
,
W. L.
Mao
,
V.
Drozd
,
J. H.
Chen
, and
L. L.
Daemen
,
J. Chem. Phys.
129
,
234509
(
2008
).
31.
P. D.
Todorov
,
L. W.
Jenneskens
, and
J. H.
van Lenthe
,
J. Chem. Phys.
132
,
034504
(
2010
).
32.
X. D.
Tang
,
Z. J.
Ding
, and
Z. M.
Zhang
,
Solid State Commun.
149
,
301
(
2009
).
33.
L.
Ciabini
,
M.
Santoro
,
R.
Bini
, and
V.
Schettino
,
J. Chem. Phys.
116
,
2928
(
2002
).
34.
L.
Ciabini
,
M.
Santoro
,
R.
Bini
, and
V.
Schettino
,
Phys. Rev. Lett.
88
,
085505
(
2002
).
35.
L.
Ciabini
,
M.
Santoro
,
F. A.
Gorelli
,
R.
Bini
,
V.
Schettino
, and
S.
Raugei
,
Nature Mater.
6
,
39
(
2006
).
36.
B.
Sun
,
Z. A.
Dreger
, and
Y. M.
Gupta
,
J. Phys. Chem.
112
,
10546
(
2008
).
37.
A. C.
Larson
and
R. B.
Von-Dreele
, GSAS-General Structure Analysis System. Report LAUR 86-748, Los Alamos National Laboratory, USA,
1994
.
38.
A.
Boultif
and
D.
Louer
,
J. Appl. Crystallogr.
37
,
724
(
2004
).
39.
D.
Louer
and
A.
Boultif
,
Z. Kristallogr. Suppl.
26
,
191
(
2007
).
40.
F. D.
Murnaghan
,
Proc. Natl. Acad. Sci. U.S.A.
30
,
244
(
1944
).
41.
J. R.
Macdonald
and
D. R.
Powell
,
J. Res. Natl. Bur. Stand., Sect. A
75A
,
441
(
1971
).
42.
S. N.
Vaidya
and
G. C.
Kennedy
,
J. Chem. Phys.
55
,
987
(
1971
).
43.
M.
Oehzelt
,
G.
Heimel
,
R.
Resel
,
P.
Puschnig
, and
K.
Hummer
,
J. Chem. Phys.
119
,
1078
(
2003
).
44.
L.
Wang
,
B. B.
Liu
,
H.
Li
,
W. G.
Yang
,
Y.
Ding
,
S. V.
Sinogeikin
,
Y.
Meng
,
Z. X.
Liu
,
X. C.
Zeng
, and
W. L.
Mao
,
Science
337
,
825
(
2012
).
You do not currently have access to this content.