Dohata hisao

Fukuda kumio

Matsuoka Shin-ichi

Ohashi Nobukimi

Fukuda Kumio

Dohata Hisao

大橋 信喜美

堂畑 久雄

松岡 慎一

Kanazawa University Repository for Academic Resources

Sd. Rep. Kanazawa Univ・2Vol. 20 No. 1， PP 15-19 June 1975 Calculated Raman Band. Envelope of Formald.ehyd務No!コukimiOHASHI， Kumio FUKUDA *， Hisao DOHAずA，and Shin寸chiJ¥在ATSUOKAJ耐 titute Stectroscopic Study of Matter Faculty 01 Science， lG抑制zawaUniversity (Received April 30， 1975) Abstr守actThe Raman band envelope of fOl'maldehyd告 asan asymmetric rotor was calculated. The values of polarizability d母rivatives，which are required to calculate the R旦man.b呂ndenvelope， were日stimatedby the aid of W olkenstein事sbond polarizabi個lity theory. The resu1t ofνand ν3 bands is giv官11・Introduction Many Investigations of pure rotation or vib~rotation Raman spectra hav配 b間 nmade on symmetric top molecules but Httle on asymmetric top moleculesll • However， more information on the polarizability is contained in those of asymmetric top mo1配 ules.For the purpose of obtaining polarizability data， Raman spectra of gaseous formaldehyde which belongs to asymmetric top molecule are being studi記din our laboratory. Formalde回hyde was investigated in detail by microwave and infrared spectroscopy2-SJ and its rotational constants werεobtained with accuracy but little by Raman spectrOE.Copy. Generally， the shape of Raman band envelope of a given molecule is deiermined by its polarizability if its rotational constants are known. Therefore， as one step of Raman study on formaldehyde， a program of computing a Raman band記nvelopewas set up for the asymmetrie top molecule. In order t 0 apply the program to cakulation forν2 and ν2 bands of formaldehyde， the valu田 ofpolarizability of formaldehyde were estimated from Raman int巴nsitydata7l by the aid of the bond polarizability theory8l. B邑causeexp吃rimen幅tal result with good quality has not be巴nobtain邑dyet， only the computed spectrum is shown in this report. The method adopted in our computing program is simil晶rto that given f01" infrared spectra9). *Present address Tokyo Shibaur昌E1ectricCo.， Ltd.， Kawasaki， Kanagawa -15 .-16 Nobukimi OHASHI， Knmio守口KUDA*，HiGao DOHA守A呂ndShill-ichi MATSUOKA .Ramr:m Il1telwJ:ty The tra口SitiOl 1 from 1:he (v， J， n) state of t.he lower vibrational level to the ， 1'，孔')st乱teof the upper vibratlonal level is by ) =con8t爪 (Vi- )4 Ul Ft FFl fJZ FV(Q) .L k' 八 × where the notations ar日 thεsam巴 asthose in the eXf'.ept for (t) RJk C")Y'r1 乳nd〉?〈 ー? ? I' t k' q 平here1=0 2， and a_-=hr -k， The values of the derivatives for with respect to nonnal coordinates and from da上a01: the absolute Raman intensities of CH4 and Yoshino and HωJ， Bernstein7l， For ))2 bands of 0:'( i~ Cin' ( じり)助ゴJと三十 -aバ~ 8inゅー=2 ・clη {じ.1:-1.i ，-"コエミ L i p(CH)勺 at' 。 トBゆ.-a[ ， 8in世 qトーα ・wherモcoordinateax邑swere tak巴1 乱sshown in ぴp ヨnda[ 巴tc.are the p巴rpendicul乳rand for CH bond etc. and叫ノ=なFrom th邑 d旦taof T. Yoshino and H， 工 誌nd 巴tcare found ;JS， 忍古手c=116.50土1，2".Calu叫 latedRaI滞anBωul Envelope of Formaldehyde 的 (CH)=O.858N， a/(CH) =2 .441 N， )J!'(CO)石上dOa1 (CH)=O.546N， ぴI/(CH)=0.84 A."， a/(CO)=0.251¥2 Using above values and those of a;;;~ etc. given by T. OQ2 ~'A. b Miyazawa11〉9t11espherical temorCOIl1130nmltsof Od obtained as follows : iJag ag aa~ aa~2 Z 一符J20.559A23 百232-Z0.018A29 7高 =一両JZ-0.070 A2 . Fig. 1. Y 、や~\ By the same process， these values for vl1 band of formaldehyde are obtained as， iJ a~: ()lt~ í) c付加-~~一← ーっ0.048N 一 """'-.0.625 A2 一一 一一(宗一'=0.31GN . iJQ3 --v. v，" n.， iJQl1一一・ ， aQ3 Band El1.velope 17 The band envelope was calculated on the basis of the rotational constants determined by microwave and infrared spectroscopy2戸， and the obtainεd rotational constants現re之"9.407473cm-¥ Bo=コ1.295405cm-1， Cu= 1.134223 cnγ1 for ground state， A2=B.39BI0 cm-1， B2= 1.28'7874 cm-l， Cz= 1.125422 cm-1 for v2 state， A3=9剛46728 cm-!， Bs = 1 .30043 cm← 1， C3 = 1.1.2B324 ClJ1→ fo1' v3 state勃The centrifugal distortion constants were旦130used but here those for the upper 3tate wεre assumed to b記 equalto those for the ground state心.The process of ca1culating the envelope issimilar 1:0 that previously used in infrared absorption則。 1nour case， the intensity for the frequency v， isexpressed by R(Vi)こ，¥ L;I (v"，) 一 一一一---;::--;;.--.-，---:;:-::::--，-，，7ーバ(ト v;，a)• dv ~.... \.~ 1ft/ 2π2， • I、(ト司VnJ2十1/(2耳τ〉勺G 2 wh釘 em is the transition from each rotational level and 1/(πτ) is the half width of Lorentzian function (0.1 cm-1 in our c呂se).f (ν-V i， a) is the slit function of the monochromator (trial1gular functiol1 in our case)， a being the slit width (0.4 c m-1 in our case). For the practical ca1culation， the valu邑sof 1 (vm) were summed up for the small range of frequ日ncy(Jv = 0.1 cm-1 in our casε)， l' (v"，)= L: I (v."J 18 Nobukimi O'HASHI‘ I(urnio FUKUDAホ， fIis記oDOHATA， and Shin圃icir.aliishTSUO!(A and F 1llaS calcu.la ted The calcu1ation ~v;/as made up to J = 26 fiもaC0111 230-~1~5 of th巴 む官nt!三rof l'三日m日zawa The result i3 sh(凡 rnin U為.k'" 11 the papθr o:f Davj:dsol1" St，aicJr，l，eff and Berestein 12)， iI:Vv司巴 that the )J，l band、iN2LS é~nd 'iyeak7 and the 1)3 b品nd'.vas ヨndn1尽diumwith the slit width of 5 cm-1 化 r山.iChisis ?nconsistent VJith our cωOTOpヨuti正ロ19r問匂モE叩 i比tin the poir叫i辻t0ぱ.f r陀Aモ伝叫lativeIn吋te印I抗ι討己r臼呂earch白Fig. 2. Calculated Raman邑p6cttU:fl1.of J，Jz ane ))3 banc1s of fDnnaldehyde HオマENS!l了、γ???? ???、?? ?????C) :;，";. ~誌別Calculated Raman Band E冊veloρe01 Formaldehyde References 1) For example， A. Weber High resolution Raman studies of gases， in "The Raman Effect，" (A. Anderson， Ed.)， Vol. 2， p.543， Marcel Dekker， New York， 1973. 2) T. Oka， H. Hirakawa and K. Shimoda ]. Mol. Spectroscopy 15， 2265 (1960)・3) H. H. Blau， ]r.， and H. H. Nielsen : ].Mol. Spectroscopy 1， 124 (1957)・4) T. Nakagawa， H. Kashiwagi， H. Kurihara加 dY. Morino ]. Mol. Spectroscopy 31， 436 (19印).5) K. Yamada， T. Nakagawa， K. Kuchitsu and Y. Morino ]. Mol. Spectroscopy 38， 70 (1971)・6) T. Nakagawa and Y. Morino ]. Mol. Spectroscopy 38， 84 (1971)・り T.Yoshino and H. ]. Bernstein ]. Mol. Spectroscopy 2， 213 (1958)・8) G. W. Chantry Polarizabjlity theory of the Raman effect， in“The Raman Effect，" (A. Anderson， Ed.)， Vol. 1， p.49， Marcel Dekker， New York， 1971. 9) T. Ueda and T. Shimanouchi ]. Mol. Spectroscopy 28， 350 (1968)， 10) K. Altmann and G. Strey ]. Mol. Spectroscopy 4， 571 (1972)・11) T. Miyazawa : ].Chem. Soc. ]apan 16， 1132 (1955)・12) D. W. Davidson， B. P. Stoicheff and H. ]. Bernstein : ].Chem. Phys. 22， 289 (1954). 19 ScI. Rep. Kanazawa UnIv.， Vol. 20 No・1， pp 21-76 June 1975 Systematic Studies on the Conducting Tissue of the Gametophyte in Musci (5) What is Expected of Systematics Regarding the Inner Structure of the Stem in Some Species of Thuidiaceae Ryozo WATANABE* and Isawo KAWA1 Detartment 01 Biology， Faculty 01 Science， Kanazawa University (Received April 26， 1975) Abstract It seems important for the phyぬtaxonomicstudy that every stage of the life cyc1e of mosses should be considered from. every point of view， and that whether of the gametophyte generation or of the sporophyte， essential coordinations in the life cyc1e should be searched. 1n this paper we searched from this point of view for principles as to how the generation of gametophyte lives， and the inner structure of the stem was examined microscopically in the Thuidiaceae species. 1n view of the resu1ts so far achieved， (1) inner differential types of the stem (1岨V1types)， (2) comparison between thickness of cell walls of the central tissue and of the internal cortex (0， P and Q types)， (3) comparison between the size of cells of the central tissue and that of cells of the internal cortex (L， M and N types)， (4) distinction between the central tissue and the internal cortex (J and K types)， and (5) cell-configuration of the central tissue (R and S types)ー theseitems have to be made obiects of investi-gation for taxonomic study. And the cross sections of the stem of the seven families， Fissidentaceae， Entodontaceae， Thuidiaceae， Mniaceae， Bartramiaceae， Dicranaceae and Polytrichaceae， hitherto observed， are studied as to the atfinity regarding the anatomical characteristics. Many points of resemblance are found as in Thuidiaceae; that is， the above-stated five characteristics of the inner structure of the stem are quite common in many families. Further， asystematic consideration was attempted making reference to the affinity among the anatomical characteristics of the stem. When the relationship among the genera of Thuidiaceae here observed is taxonomically considered as to the essential characters， itseems that one of the relationships among the genera of Thuidiaceae is as shown in Tab. 6， that is， the genera of Thuidiaceae are divided into Th圃 andAn-groups. The genera of Th-group are c1assified into four groups， ThIIIPKMla-， ThlII PKMlb-， ThlIIPJNla-and ThlIIP.TNlb-groups， and the genera of An-group are classified into the three groups : AnIII PKM8a， AnIII PKM8b and AnIVQJN. But the *Present address 12・20，2-Chome， 1zumトCho，Hoya-City， Tokyo - 21-

Calculated Raman Band Envelope of Formaldehyde

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Calculated Raman Band Envelope of Formaldehyde

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