HIGH-RESOLUTION FTIR STUDY OF THE PH STRETCHING BANDS NU(1) AND NU(5) OF PH2F AND PH2CL

被引：7

作者：

BECKERS, H ^{[1
]}

BURGER, H ^{[1
]}

PAPLEWSKI, M ^{[1
]}

机构：

[1] UNIV GESAMTHSCH WUPPERTAL,D-42097 WUPPERTAL,GERMANY

来源：

JOURNAL OF MOLECULAR SPECTROSCOPY | 1995年 / 171卷 / 02期

关键词：

D O I：

10.1006/jmsp.1995.1141

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：

The FTIR spectra in the nu(1) and nu(5) (PH stretching) regions of the short-lived molecules PH2F and PH2Cl have been recorded with a resolution of 5.5 x 10(-3) cm(-1). The rovibrational analysis of the A/C- and B-type bands yielded excited state parameters, and relative transition moments of the nu(1) and nu(5) bands as well as the mu(A):mu(C) ratio of nu(1) were estimated by band contour simulations. The band centers were determined: PH2F, nu(1) 2283.11950(4), nu(5) 2286.97185(4); and PH2 Cl-35, nu(1) 2203.43762(4), nu(5) 2309.67696(4) cm(-1). In PH2F, weak c-type Coriolis resonance effects with xi(1,5)(c) = 0.0120 were found to affect the K-a = 1 and K-a = 0 levels of nu(1) and nu(5), respectively. The experimental results are in good agreement with previously reported predictions from ab initio harmonic and anharmonic force fields. (C) 1995 Academic Press, Inc.

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页码：546 / 554

页数：9

相关论文

共 14 条

[1] COCONDENSATION REACTION BETWEEN PHOSPHINE AND FLUORINE - MATRIX INFRARED-SPECTRA OF PH3F2, PHF2, AND PH2F [J].

ANDREWS, L ;

WITHNALL, R .

INORGANIC CHEMISTRY, 1989, 28 (03) :494-499

[2] AB-INITIO CALCULATIONS ON MONOHALOGENOPHOSPHANES PH(2)X (X=F,CL,BR,I), AND EXPERIMENTAL DETECTION AND CHARACTERIZATION OF PH2F AND PH2CL BY HIGH-RESOLUTION INFRARED-SPECTROSCOPY [J].

BECKERS, H ;

BURGER, H ;

KUNA, R ;

PAPLEWSKI, M ;

THIEL, W .

JOURNAL OF CHEMICAL PHYSICS, 1994, 101 (07) :5585-5595

[3] HIGH-RESOLUTION ROTATION-VIBRATION SPECTROSCOPY OF DIFLUOROPHOSPHORANE - A COMBINED THEORETICAL AND EXPERIMENTAL-STUDY [J].

BECKERS, H ;

BREIDUNG, J ;

BURGER, H ;

KUNA, R ;

RAHNER, A ;

SCHNEIDER, W ;

THIEL, W .

JOURNAL OF CHEMICAL PHYSICS, 1990, 93 (07) :4603-4614

[4] GAS-PHASE REACTIONS OF H3PF2 - SYNTHESIS OF THE MONOHALOGENOPHOSPHANES H2PF AND H2PCL [J].

BECKERS, H .

ZEITSCHRIFT FUR ANORGANISCHE UND ALLGEMEINE CHEMIE, 1993, 619 (11) :1880-1886

[5] A NOVEL SYNTHESIS OF H3PF2 BY SELECTIVE FLUORINATION OF H3P - THE IR-SPECTRA AND NORMAL-COORDINATE ANALYSES OF THE SERIES HND3-NPF2 [J].

BECKERS, H .

ZEITSCHRIFT FUR ANORGANISCHE UND ALLGEMEINE CHEMIE, 1993, 619 (11) :1869-1879

[6] THE ROTATIONAL-TORSIONAL SPECTRUM OF CARBODIIMIDE - A PROBE FOR THE UNUSUAL DYNAMICS [J].

BIRK, M ;

WINNEWISSER, M ;

COHEN, EA .

JOURNAL OF MOLECULAR SPECTROSCOPY, 1989, 136 (02) :402-445

[7] ABINITIO CALCULATION OF HARMONIC FORCE-FIELDS AND VIBRATIONAL-SPECTRA FOR THE FLUOROPHOSPHINES PH N F3-N (N = 0-3) [J].

BREIDUNG, J ;

THIEL, W .

JOURNAL OF PHYSICAL CHEMISTRY, 1988, 92 (20) :5597-5602

[8] VIBRATIONAL-SPECTRA AND FORCE-CONSTANTS OF SYMMETRIC TOPS - HIGH-RESOLUTION SPECTRA OF MONOISOTOPIC H3SICL IN THE 2200-CM-1 REGION AND ROVIBRATIONAL ANALYSIS OF THE NU-1 AND NU-4 FUNDAMENTALS [J].

BURGER, H ;

SCHULZ, P .

JOURNAL OF MOLECULAR SPECTROSCOPY, 1983, 102 (01) :160-173

[9] THE HIGH-RESOLUTION FOURIER-TRANSFORM INFRARED-SPECTRUM OF H3SIF NEAR 2200 CM-1 - ROVIBRATIONAL ANALYSIS OF THE FUNDAMENTALS NU-1 AND NU-4 AND THEIR PERTURBERS 3-NU-6+/-1 AND 3-NU-6+/-3 [J].

BURGER, H ;

SCHULZ, P .

JOURNAL OF MOLECULAR SPECTROSCOPY, 1987, 125 (01) :140-153

[10]

Guelachvili G., 1986, HDB INFRARED STANDAR