Th-symmetrical N8(C=C)6 and P8(C=C)6;: an extraordinary contrast in heterofullerene stability

被引：22

作者：

Alder, RW

Harvey, JN

Schleyer, PV

Moran, D

机构：

[1] Univ Bristol, Sch Chem, Bristol BS8 1TS, Avon, England

[2] Univ Georgia, Athens, GA 30602 USA

来源：

ORGANIC LETTERS | 2001年 / 3卷 / 21期

关键词：

D O I：

10.1021/ol016163p

中图分类号：

O62 [有机化学];

学科分类号：

070303 ; 081704 ;

摘要：

[GRAPHICS] T-h-symmetrical P-8(C=C)(6), 1, is predicted to be a remarkably stable small heterofullerene with carbon atoms less pyramidal than in C-60. (ThN8)-N-.(C=C)(6), 2, in sharp contrast, is strongly destabilized relative to T-h(.)(HC)(8)(C=C)(6). The causes of this extraordinarily large difference (nearly 1000 kJ mol(-1)) between 1 and 2 are explained.

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页码：3233 / 3236

页数：4

相关论文

共 25 条

[1] Synthesis and co-ordination chemistry of perfluorovinyl phosphine derivatives.: Single crystal structures of PPh(CF=CF2)2, cis-[PtCl2{PPh2(CF=CF2)}2] and [{AuCl[PPh2(CF=CF2)]}2] [J].

Banger, KK ;

Banham, RP ;

Brisdon, AK ;

Cross, WI ;

Damant, G ;

Parsons, S ;

Pritchard, RG ;

Sousa-Pedrares, A .

JOURNAL OF THE CHEMICAL SOCIETY-DALTON TRANSACTIONS, 1999, (03) :427-434

[2] EXPERIMENTAL ENTHALPIES OF FORMATION AND STRAIN ENERGIES FOR THE CAGED C20H20 PAGODANE AND DODECAHEDRANE FRAMEWORKS [J].

BECKHAUS, HD ;

RUCHARDT, C ;

LAGERWALL, DR ;

PAQUETTE, LA ;

WAHL, F ;

PRINZBACH, H .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1994, 116 (26) :11775-11778

[3] EXPERIMENTAL ENTHALPIES OF FORMATION AND STRAIN ENERGIES FOR THE CAGED C20H20 PAGODANE AND DODECAHEDRANE FRAMEWORKS (VOL 116, PG 11775, 1994) [J].

BECKHAUS, HD ;

RUCHARDT, C ;

LAGERWALL, DR ;

PAQUETTE, LA ;

WAHL, F ;

PRINZBACH, H .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1995, 117 (34) :8885-8885

[4] Fast computation of analytical second derivatives with effective core potentials:: Application to Si8C12, Ge8C12, and Sn8C12 [J].

Bode, BM ;

Gordon, MS .

JOURNAL OF CHEMICAL PHYSICS, 1999, 111 (19) :8778-8784

[5] PYRAMIDALIZED ALKENES [J].

BORDEN, WT .

CHEMICAL REVIEWS, 1989, 89 (05) :1095-1109

[6] ESTIMATION OF HEATS OF FORMATION OF ORGANIC-COMPOUNDS BY ADDITIVITY METHODS [J].

COHEN, N ;

BENSON, SW .

CHEMICAL REVIEWS, 1993, 93 (07) :2419-2438

[7]

Cox J.D., 1970, THERMOCHEMISTRY ORGA

[8]

Evangelisti S, 1997, INT J QUANTUM CHEM, V65, P83, DOI 10.1002/(SICI)1097-461X(1997)65:1<83::AID-QUA9>3.0.CO

[9]

2-X

[10] METALLO-CARBOHEDRENES [M8C12+ (M = V, ZR, HF, AND TI)] - A CLASS OF STABLE MOLECULAR CLUSTER IONS [J].

GUO, BC ;

WEI, S ;

PURNELL, J ;

BUZZA, S ;

CASTLEMAN, AW .

SCIENCE, 1992, 256 (5056) :515-516