THEORETICAL PREDICTION OF VIBRATIONAL-SPECTRA - THE OUT-OF-PLANE FORCE-FIELD AND VIBRATIONAL-SPECTRA OF PYRIDINE

被引：41

作者：

PONGOR, G

FOGARASI, G

BOGGS, JE

PULAY, P

机构：

[1] UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712

[2] UNIV ARKANSAS,DEPT CHEM,FAYETTEVILLE,AR 72701

来源：

JOURNAL OF MOLECULAR SPECTROSCOPY | 1985年 / 114卷 / 02期

关键词：

D O I：

10.1016/0022-2852(85)90237-1

中图分类号：

O64 [物理化学（理论化学）、化学物理学]; O56 [分子物理学、原子物理学];

学科分类号：

070203 ; 070304 ; 081704 ; 1406 ;

摘要：

引用

页码：445 / 453

页数：9

共 34 条

[1] INFRARED ABSORPTION SPECTRA OF MONODEUTERATED PYRIDINES [J].

ANDERSEN, FA ;

BAK, B ;

BRODERSEN, S ;

RASTRUPANDERSEN, J .

JOURNAL OF CHEMICAL PHYSICS, 1955, 23 (06) :1047-1048

[2] APPLICATION OF SELF-CONSISTENT-FIELD AB-INITIO CALCULATIONS TO ORGANIC-MOLECULES .2. SCALE FACTOR METHOD FOR CALCULATION OF VIBRATIONAL FREQUENCIES FROM AB-INITIO FORCE CONSTANTS - ETHANE, PROPANE AND CYCLOPROPANE [J].

BLOM, CE ;

ALTONA, C .

MOLECULAR PHYSICS, 1976, 31 (05) :1377-1391

[3] ABINITIO CALCULATION OF AMINE OUT-OF-PLANE ANGLES [J].

BOGGS, JE ;

NIU, ZF .

JOURNAL OF COMPUTATIONAL CHEMISTRY, 1985, 6 (01) :46-55

[4] INFRARED SPECTRA OF CRYSTALLINE AND MATRIX ISOLATED PYRIDINE AND PYRIDINE-D5 [J].

CASTELLU.E ;

SBRANA, G ;

VERDERAM.FD .

JOURNAL OF CHEMICAL PHYSICS, 1969, 51 (09) :3762-&

[5] THE VIBRATIONAL SPECTRA OF PYRIDINE AND PYRIDINE-D5 [J].

CORRSIN, L ;

FAX, BJ ;

LORD, RC .

JOURNAL OF CHEMICAL PHYSICS, 1953, 21 (07) :1170-1176

[6] VIBRATIONAL-SPECTRA OF C2V-DEUTERIUM SUBSTITUTED PYRIDINES .2. PYRIDINE, PYRIDINE-4-D, PYRIDINE-2,6-D2 AND PYRIDINE-2,4,6-D3 [J].

DILELLA, DP ;

STIDHAM, HD .

JOURNAL OF RAMAN SPECTROSCOPY, 1980, 9 (02) :90-106

[7] VIBRATIONAL-SPECTRA OF C-2-NU DEUTERIUM SUBSTITUTED PYRIDINES .3. PYRIDINE-3,5-D2 AND PYRIDINE-3,4,5-D3 [J].

DILELLA, DP .

JOURNAL OF RAMAN SPECTROSCOPY, 1980, 9 (04) :239-246

[8]

FOGARASI G, 1984, ANNU REV PHYS CHEM, V35, P191

[9] COMPLETE QUADRATIC FORCE-FIELD AND ABSOLUTE BAND INTENSITIES FOR OUT-OF-PLANE VIBRATIONS OF PYRIDINE AND ITS DEUTERIUM DERIVATIVES IN CS2 SOLUTION [J].

KAKIUTI, Y ;

AKIYAMA, M ;

SAITO, N ;

SAITO, H .

JOURNAL OF MOLECULAR SPECTROSCOPY, 1976, 61 (02) :164-176

[10] The vibrational spectrum of pyridine and the thermodynamic properties of pyridine vapors [J].

Kline, CH ;

Turkevich, J .

JOURNAL OF CHEMICAL PHYSICS, 1944, 12 (07) :300-309

← 1 2 3 4 →