THE STRUCTURE OF 4-(N,N-DIMETHYLAMINO)BENZONITRILE AND ITS VANDERWAALS COMPLEXES

被引：77

作者：

KAJIMOTO, O ^{[1
]}

YOKOYAMA, H ^{[1
]}

OOSHIMA, Y ^{[1
]}

ENDO, Y ^{[1
]}

机构：

[1] UNIV TOKYO,COLL ARTS & SCI,DEPT PURE & APPL SCI,MEGURO KU,TOKYO 153,JAPAN

来源：

CHEMICAL PHYSICS LETTERS | 1991年 / 179卷 / 5-6期

关键词：

D O I：

10.1016/0009-2614(91)87085-P

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：

The structure of N,N-dimethylaminobenzonitrile (DMABN) was determined using microwave and high-resolution laser spectroscopy. In the ground state, the molecule is found to be nearly planar with the inversion angle being about 15-degrees. In the excited state, however, the dimethylamino group rotates by 30-degrees from the benzene plane while the inversion angle is zero. The structure of 1:1 DMABN-Ar and 1:1 DMABN-H2O complexes was also estimated using high-resolution spectra. The Ar atom was found to lie above the benzene ring whereas the water molecule is located within the benzene plane, about 3.5 angstrom to the side of the CN group.

引用

页码：455 / 459

页数：5

共 17 条

[1] BENZENE RING DISTORTION BY 1 SUBSTITUENT - MICROWAVE DETERMINATION OF COMPLETE STRUCTURE OF BENZONITRILE [J].

BAK, B ;

CHRISTENSEN, D ;

HANSENNYGAARD, L ;

RASTRUPANDERSEN, J ;

DIXON, WB .

JOURNAL OF CHEMICAL PHYSICS, 1962, 37 (09) :2027-&

[2] TWISTED INTERNAL CHARGE-TRANSFER MOLECULES - ALREADY TWISTED IN THE GROUND-STATE [J].

CAZEAUDUBROCA, C ;

LYAZIDI, SA ;

CAMBOU, P ;

PEIRIGUA, A ;

CAZEAU, P ;

PESQUER, M .

JOURNAL OF PHYSICAL CHEMISTRY, 1989, 93 (06) :2347-2358

[3]

CERBELLATI R, 1982, J MOL STRUCT, V78, P161

[4] LASER-INDUCED FLUORESCENCE SPECTROSCOPY OF 4-AMINOBENZONITRILE, 4-(N,N-DIMETHYLAMINO)BENZONITRILE, AND THEIR VANDERWAALS COMPLEXES IN A SUPERSONIC JET [J].

GIBSON, EM ;

JONES, AC ;

TAYLOR, AG ;

BOUWMAN, WG ;

PHILLIPS, D ;

SANDELL, J .

JOURNAL OF PHYSICAL CHEMISTRY, 1988, 92 (19) :5449-5455

[5] 4-N,N-DIMETHYLAMINOBENZONITRILE - THE ABSENCE OF A-STAR FLUORESCENCE UNDER JET-COOLED CONDITIONS [J].

GIBSON, EM ;

JONES, AC ;

PHILLIPS, D .

CHEMICAL PHYSICS LETTERS, 1987, 136 (05) :454-459

[6] THE TORSIONAL POTENTIAL FUNCTION OF DIMETHYLAMINOBENZONITRILE AND RELATED-COMPOUNDS IN THEIR S1 STATES - COMMENT [J].

GORDON, RD .

JOURNAL OF CHEMICAL PHYSICS, 1990, 93 (09) :6908-6909

[7]

GRABOWSKI ZR, 1979, NOUV J CHIM, V3, P443

[8] CONFORMATIONAL-CHANGES UPON S1[-S0 EXCITATION IN 4-DIMETHYLAMINOBENZONITRILE AND SOME OF ITS CHEMICAL ANALOGS [J].

GRASSIAN, VH ;

WARREN, JA ;

BERNSTEIN, ER ;

SECOR, HV .

JOURNAL OF CHEMICAL PHYSICS, 1989, 90 (08) :3994-3999

[9] INTRAMOLECULAR CHARGE-TRANSFER REACTIONS STUDIED IN A SUPERCRITICAL FLUID OF VARYING DENSITIES AND IN A MOLECULAR-BEAM [J].

KAJIMOTO, O ;

YAMASAKI, K ;

HONMA, K .

FARADAY DISCUSSIONS, 1988, 85 :65-75

[10] A THEORETICAL-STUDY ON THE MECHANISM OF CHARGE-TRANSFER STATE FORMATION OF 4-(N,N-DIMETHYLAMINO)BENZONITRILE IN AN AQUEOUS-SOLUTION [J].

KATO, S ;

AMATATSU, Y .

JOURNAL OF CHEMICAL PHYSICS, 1990, 92 (12) :7241-7257

← 1 2 →