GENERATION OF UNKNOWN CRYSTAL PHASES FOR AROMATIC-HYDROCARBONS BY PACKING ENERGY CALCULATIONS

被引：47

作者：

BERNSTEIN, J

SARMA, JARP

GAVEZZOTTI, A

机构：

[1] UNIV MILAN,DIPARTIMENTO CHIM FIS & ELETTROCHIM,I-20133 MILAN,ITALY

[2] UNIV MILAN,CTR CNR,I-20133 MILAN,ITALY

来源：

CHEMICAL PHYSICS LETTERS | 1990年 / 174卷 / 3-4期

关键词：

D O I：

10.1016/0009-2614(90)85359-K

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

Using geometrical inferences from known crystal structures of aromatic hydrocarbons, some novel orthorhombic crystal structures are proposed for naphthalene, anthracene and biphenyl. Their packing energies and relative stabilities are discussed. © 1990.

引用

页码：361 / 368

页数：8

共 30 条

[1] SYSTEMATIC ANALYSIS OF STRUCTURAL DATA AS A RESEARCH TECHNIQUE IN ORGANIC-CHEMISTRY [J].

ALLEN, FH ;

KENNARD, O ;

TAYLOR, R .

ACCOUNTS OF CHEMICAL RESEARCH, 1983, 16 (05) :146-153

[2]

ANDRE D, 1971, ACTA CRYSTALLOGR B, V27, P1275

[3] CRYSTALLOGRAPHIC STUDY OF SOLID BENZENE BY NEUTRON DIFFRACTION [J].

BACON, GE ;

CURRY, NA ;

WILSON, SA .

PROCEEDINGS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL AND PHYSICAL SCIENCES, 1964, 279 (1376) :98-+

[4] The structure of some hydrocarbons related to the sterols [J].

Bernal, JD ;

Crowfoot, D .

JOURNAL OF THE CHEMICAL SOCIETY, 1935, :93-100

[5]

BERNSTEIN J, 1978, J AM CHEM SOC, V100, P673, DOI 10.1021/ja00471a001

[6]

Bernstein J., 1987, ORGANIC SOLID STATE, P471

[7] STRUCTURAL TRANSITION IN POLYPHENYLS .5. BIPHENYL - 3-DIMENSIONAL DATA AND NEW REFINEMENT AT 293 K [J].

CHARBONNEAU, GP ;

DELUGEARD, Y .

ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE, 1977, 33 (MAY13) :1586-1588

[8]

DESTRO R, UNPUB

[9]

DUNITZ JD, 1982, ACTA CRYSTALLOGR B, V38, P2218

[10]

FOURET R, 1981, T AM CRYST ASS, V17, P43

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